[2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone

C94H100N24O5 — CID 158135134

IUPAC[2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
SMILESCC(C)(C)c1cc2cc(Nc3nccc(-c4cc(CO)ccn4)n3)ccc2[nH]1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(C)(C)C)cc4c3)n2)c1.Cc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1
InChIInChI=1S/C25H27N7O2.C24H25N7O.C23H25N5O.C22H23N5O/c1-31-9-11-32(12-10-31)24(33)23-15-18-14-19(3-4-20(18)29-23)28-25-27-8-6-21(30-25)22-13-17(16-34-2)5-7-26-22;1-16-5-7-25-21(13-16)20-6-8-26-24(29-20)27-18-3-4-19-17(14-18)15-22(28-19)23(32)31-11-9-30(2)10-12-31;1-23(2,3)21-13-16-12-17(5-6-18(16)27-21)26-22-25-10-8-19(28-22)20-11-15(14-29-4)7-9-24-20;1-22(2,3)20-12-15-11-16(4-5-17(15)26-20)25-21-24-9-7-18(27-21)19-10-14(13-28)6-8-23-19/h3-8,13-15,29H,9-12,16H2,1-2H3,(H,27,28,30);3-8,13-15,28H,9-12H2,1-2H3,(H,26,27,29);5-13,27H,14H2,1-4H3,(H,25,26,28);4-12,26,28H,13H2,1-3H3,(H,24,25,27)
InChIKeyFTGIELQTTRLKKH-UHFFFAOYSA-N
MW1646.00 g/mol
LogP16.52
Rot. Bonds19

About [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone

[2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone (PubChem CID 158135134) has the molecular formula C94H100N24O5 and a molecular weight of 1646.00 g/mol. Its IUPAC name is [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
PubChem CID158135134
Molecular FormulaC94H100N24O5
Molecular Weight1646.00 g/mol
Exact Mass1644.83
IUPAC Name[2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
SMILESCC(C)(C)c1cc2cc(Nc3nccc(-c4cc(CO)ccn4)n3)ccc2[nH]1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(C)(C)C)cc4c3)n2)c1.Cc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1
InChIInChI=1S/C25H27N7O2.C24H25N7O.C23H25N5O.C22H23N5O/c1-31-9-11-32(12-10-31)24(33)23-15-18-14-19(3-4-20(18)29-23)28-25-27-8-6-21(30-25)22-13-17(16-34-2)5-7-26-22;1-16-5-7-25-21(13-16)20-6-8-26-24(29-20)27-18-3-4-19-17(14-18)15-22(28-19)23(32)31-11-9-30(2)10-12-31;1-23(2,3)21-13-16-12-17(5-6-18(16)27-21)26-22-25-10-8-19(28-22)20-11-15(14-29-4)7-9-24-20;1-22(2,3)20-12-15-11-16(4-5-17(15)26-20)25-21-24-9-7-18(27-21)19-10-14(13-28)6-8-23-19/h3-8,13-15,29H,9-12,16H2,1-2H3,(H,27,28,30);3-8,13-15,28H,9-12H2,1-2H3,(H,26,27,29);5-13,27H,14H2,1-4H3,(H,25,26,28);4-12,26,28H,13H2,1-3H3,(H,24,25,27)
InChIKeyFTGIELQTTRLKKH-UHFFFAOYSA-N
XLogP16.52
TPSA351.75 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001646.00
LogP ≤ 516.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

{5-[4-(4-methoxymethyl-pyridin-2-yl)-pyrimidin-2-ylamino]-1H-indol-2-yl}-(4-methyl-piperazin-1-yl)-methanone
CID 68296624
[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
CID 71233736
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71233738
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
CID 71233747
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 71233757
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
CID 71233760
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide
CID 71233869
5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71235837
5-[[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-2-carboxylic acid;2-morpholin-4-ylacetamide;hydrochloride
CID 70033024
[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-7-methyl-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71233807
5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71235919
7-(iodomethyl)-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 89395490

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone?
The IUPAC name of [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone (CID 158135134) is [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone.
What is the SMILES notation for [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone?
The canonical SMILES for [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone is CC(C)(C)c1cc2cc(Nc3nccc(-c4cc(CO)ccn4)n3)ccc2[nH]1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(C)(C)C)cc4c3)n2)c1.Cc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.
What is the InChIKey of [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone?
The InChIKey is FTGIELQTTRLKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C24H25N7O.C23H25N5O.C22H23N5O/c1-31-9-11-32(12-10-31)24(33)23-15-18-14-19(3-4-20(18)29-23)28-25-27-8-6-21(30-25)22-13-17(16-34-2)5-7-26-22;1-16-5-7-25-21(13-16)20-6-8-26-24(29-20)27-18-3-4-19-17(14-18)15-22(28-19)23(32)31-11-9-30(2)10-12-31;1-23(2,3)21-13-16-12-17(5-6-18(16)27-21)26-22-25-10-8-19(28-22)20-11-15(14-29-4)7-9-24-20;1-22(2,3)20-12-15-11-16(4-5-17(15)26-20)25-21-24-9-7-18(27-21)19-10-14(13-28)6-8-23-19/h3-8,13-15,29H,9-12,16H2,1-2H3,(H,27,28,30);3-8,13-15,28H,9-12H2,1-2H3,(H,26,27,29);5-13,27H,14H2,1-4H3,(H,25,26,28);4-12,26,28H,13H2,1-3H3,(H,24,25,27).
What are the key properties of [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone?
[2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone has a molecular weight of 1646.00 g/mol, XLogP of 16.52, 19 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2-tert-butyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-4-pyridinyl]methanol;2-tert-butyl-N-[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]-1H-indol-5-amine;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone is sourced from PubChem (CID 158135134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).