[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine

C88H86F2N26O5 — CID 160793957

IUPAC[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine
SMILESC=CCOc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(C)(F)F)ccn5)n4)ccc3[nH]2)CC1.CNC(=O)N1CCc2cc(Nc3nccc(-c4ccccn4)n3)ccc21.Cn1cnc2cc(Nc3nccc(-c4ccccn4)n3)ccc21
InChIInChI=1S/C26H27F2N7O2.C26H27N7O2.C19H18N6O.C17H14N6/c1-26(27,28)16-37-19-5-7-29-22(15-19)21-6-8-30-25(33-21)31-18-3-4-20-17(13-18)14-23(32-20)24(36)35-11-9-34(2)10-12-35;1-3-14-35-20-6-8-27-23(17-20)22-7-9-28-26(31-22)29-19-4-5-21-18(15-19)16-24(30-21)25(34)33-12-10-32(2)11-13-33;1-20-19(26)25-11-8-13-12-14(5-6-17(13)25)23-18-22-10-7-16(24-18)15-4-2-3-9-21-15;1-23-11-20-15-10-12(5-6-16(15)23)21-17-19-9-7-14(22-17)13-4-2-3-8-18-13/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,30,31,33);3-9,15-17,30H,1,10-14H2,2H3,(H,28,29,31);2-7,9-10,12H,8,11H2,1H3,(H,20,26)(H,22,23,24);2-11H,1H3,(H,19,21,22)
InChIKeySCENOGZTBYSZMA-UHFFFAOYSA-N
MW1625.83 g/mol
LogP14.05
Rot. Bonds20

About [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine

[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine (PubChem CID 160793957) has the molecular formula C88H86F2N26O5 and a molecular weight of 1625.83 g/mol. Its IUPAC name is [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine
PubChem CID160793957
Molecular FormulaC88H86F2N26O5
Molecular Weight1625.83 g/mol
Exact Mass1624.72
IUPAC Name[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine
SMILESC=CCOc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(C)(F)F)ccn5)n4)ccc3[nH]2)CC1.CNC(=O)N1CCc2cc(Nc3nccc(-c4ccccn4)n3)ccc21.Cn1cnc2cc(Nc3nccc(-c4ccccn4)n3)ccc21
InChIInChI=1S/C26H27F2N7O2.C26H27N7O2.C19H18N6O.C17H14N6/c1-26(27,28)16-37-19-5-7-29-22(15-19)21-6-8-30-25(33-21)31-18-3-4-20-17(13-18)14-23(32-20)24(36)35-11-9-34(2)10-12-35;1-3-14-35-20-6-8-27-23(17-20)22-7-9-28-26(31-22)29-19-4-5-21-18(15-19)16-24(30-21)25(34)33-12-10-32(2)11-13-33;1-20-19(26)25-11-8-13-12-14(5-6-17(13)25)23-18-22-10-7-16(24-18)15-4-2-3-9-21-15;1-23-11-20-15-10-12(5-6-16(15)23)21-17-19-9-7-14(22-17)13-4-2-3-8-18-13/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,30,31,33);3-9,15-17,30H,1,10-14H2,2H3,(H,28,29,31);2-7,9-10,12H,8,11H2,1H3,(H,20,26)(H,22,23,24);2-11H,1H3,(H,19,21,22)
InChIKeySCENOGZTBYSZMA-UHFFFAOYSA-N
XLogP14.05
TPSA350.10 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001625.83
LogP ≤ 514.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

[5-[[4-[4-(3-hydroxy-2,2-dimethylpropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 57521293
5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
CID 60141082
9-[5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
CID 60141224
[5-[[4-[4-(3,4-dihydro-2H-chromen-4-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60141368
[5-[[4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60141369
[5-[[4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60141370
[5-[[4-[4-(2-hydroxyethoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60141506
[5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60141507
[5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 60141645
5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 60141646
(4-methylpiperazin-1-yl)-[5-[[4-[4-(pyridin-3-ylmethoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
CID 60141786
[5-[[4-[4-[(E)-4-hydroxybut-2-enoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60141787

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine?
The IUPAC name of [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine (CID 160793957) is [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine.
What is the SMILES notation for [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine?
The canonical SMILES for [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine is C=CCOc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(C)(F)F)ccn5)n4)ccc3[nH]2)CC1.CNC(=O)N1CCc2cc(Nc3nccc(-c4ccccn4)n3)ccc21.Cn1cnc2cc(Nc3nccc(-c4ccccn4)n3)ccc21.
What is the InChIKey of [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine?
The InChIKey is SCENOGZTBYSZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7O2.C26H27N7O2.C19H18N6O.C17H14N6/c1-26(27,28)16-37-19-5-7-29-22(15-19)21-6-8-30-25(33-21)31-18-3-4-20-17(13-18)14-23(32-20)24(36)35-11-9-34(2)10-12-35;1-3-14-35-20-6-8-27-23(17-20)22-7-9-28-26(31-22)29-19-4-5-21-18(15-19)16-24(30-21)25(34)33-12-10-32(2)11-13-33;1-20-19(26)25-11-8-13-12-14(5-6-17(13)25)23-18-22-10-7-16(24-18)15-4-2-3-9-21-15;1-23-11-20-15-10-12(5-6-16(15)23)21-17-19-9-7-14(22-17)13-4-2-3-8-18-13/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,30,31,33);3-9,15-17,30H,1,10-14H2,2H3,(H,28,29,31);2-7,9-10,12H,8,11H2,1H3,(H,20,26)(H,22,23,24);2-11H,1H3,(H,19,21,22).
What are the key properties of [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine?
[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine has a molecular weight of 1625.83 g/mol, XLogP of 14.05, 20 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 160793957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).