[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone

C115H129N31O5 — CID 157286570

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone
SMILESO=C(CC1CCC(CN2CCCC2)CC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCCC2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCOCC2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C30H34N6O.C29H34N8O2.C29H34N8O.C27H27N9O/c37-29(17-21-6-8-22(9-7-21)20-36-15-3-4-16-36)28-19-23-18-24(10-11-25(23)34-28)33-30-32-14-12-27(35-30)26-5-1-2-13-31-26;38-28(37-14-12-35(13-15-37)10-3-11-36-16-18-39-19-17-36)27-21-22-20-23(5-6-24(22)33-27)32-29-31-9-7-26(34-29)25-4-1-2-8-30-25;38-28(37-18-16-36(17-19-37)15-5-14-35-12-3-4-13-35)27-21-22-20-23(7-8-24(22)33-27)32-29-31-11-9-26(34-29)25-6-1-2-10-30-25;37-26(36-15-13-34(14-16-36)11-12-35-10-9-28-19-35)25-18-20-17-21(4-5-22(20)32-25)31-27-30-8-6-24(33-27)23-3-1-2-7-29-23/h1-2,5,10-14,18-19,21-22,34H,3-4,6-9,15-17,20H2,(H,32,33,35);1-2,4-9,20-21,33H,3,10-19H2,(H,31,32,34);1-2,6-11,20-21,33H,3-5,12-19H2,(H,31,32,34);1-10,17-19,32H,11-16H2,(H,30,31,33)
InChIKeyBAHNRAIKAIEQSI-UHFFFAOYSA-N
MW2025.51 g/mol
LogP16.91
Rot. Bonds31

About [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone (PubChem CID 157286570) has the molecular formula C115H129N31O5 and a molecular weight of 2025.51 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone
PubChem CID157286570
Molecular FormulaC115H129N31O5
Molecular Weight2025.51 g/mol
Exact Mass2024.08
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone
SMILESO=C(CC1CCC(CN2CCCC2)CC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCCC2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCOCC2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C30H34N6O.C29H34N8O2.C29H34N8O.C27H27N9O/c37-29(17-21-6-8-22(9-7-21)20-36-15-3-4-16-36)28-19-23-18-24(10-11-25(23)34-28)33-30-32-14-12-27(35-30)26-5-1-2-13-31-26;38-28(37-14-12-35(13-15-37)10-3-11-36-16-18-39-19-17-36)27-21-22-20-23(5-6-24(22)33-27)32-29-31-9-7-26(34-29)25-4-1-2-8-30-25;38-28(37-18-16-36(17-19-37)15-5-14-35-12-3-4-13-35)27-21-22-20-23(7-8-24(22)33-27)32-29-31-11-9-26(34-29)25-6-1-2-10-30-25;37-26(36-15-13-34(14-16-36)11-12-35-10-9-28-19-35)25-18-20-17-21(4-5-22(20)32-25)31-27-30-8-6-24(33-27)23-3-1-2-7-29-23/h1-2,5,10-14,18-19,21-22,34H,3-4,6-9,15-17,20H2,(H,32,33,35);1-2,4-9,20-21,33H,3,10-19H2,(H,31,32,34);1-2,6-11,20-21,33H,3-5,12-19H2,(H,31,32,34);1-10,17-19,32H,11-16H2,(H,30,31,33)
InChIKeyBAHNRAIKAIEQSI-UHFFFAOYSA-N
XLogP16.91
TPSA390.45 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002025.51
LogP ≤ 516.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28d
CID 5329252
3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155167033
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28b
CID 5329250
1-methyl-9-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
CID 72188232
(4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 60142746
N-methyl-N-(3-morpholin-4-ylpropyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 60142748
[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone
CID 60142874
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 60143001
N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 71233680
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233697
N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 71233706
morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233717

Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone (CID 157286570) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone is O=C(CC1CCC(CN2CCCC2)CC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCCC2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCOCC2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone?
The InChIKey is BAHNRAIKAIEQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O.C29H34N8O2.C29H34N8O.C27H27N9O/c37-29(17-21-6-8-22(9-7-21)20-36-15-3-4-16-36)28-19-23-18-24(10-11-25(23)34-28)33-30-32-14-12-27(35-30)26-5-1-2-13-31-26;38-28(37-14-12-35(13-15-37)10-3-11-36-16-18-39-19-17-36)27-21-22-20-23(5-6-24(22)33-27)32-29-31-9-7-26(34-29)25-4-1-2-8-30-25;38-28(37-18-16-36(17-19-37)15-5-14-35-12-3-4-13-35)27-21-22-20-23(7-8-24(22)33-27)32-29-31-11-9-26(34-29)25-6-1-2-10-30-25;37-26(36-15-13-34(14-16-36)11-12-35-10-9-28-19-35)25-18-20-17-21(4-5-22(20)32-25)31-27-30-8-6-24(33-27)23-3-1-2-7-29-23/h1-2,5,10-14,18-19,21-22,34H,3-4,6-9,15-17,20H2,(H,32,33,35);1-2,4-9,20-21,33H,3,10-19H2,(H,31,32,34);1-2,6-11,20-21,33H,3-5,12-19H2,(H,31,32,34);1-10,17-19,32H,11-16H2,(H,30,31,33).
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone has a molecular weight of 2025.51 g/mol, XLogP of 16.91, 31 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone;1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethanone;[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157286570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).