[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide

C75H78N18O9 — CID 157129424

IUPAC[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCCOCC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C26H28N6O3.C25H26N6O3.C24H24N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23;1-33-16-17-5-7-26-22(13-17)21-6-8-27-25(30-21)28-19-3-4-20-18(14-19)15-23(29-20)24(32)31-9-2-11-34-12-10-31;1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31);3-8,13-15,29H,2,9-12,16H2,1H3,(H,27,28,30);2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29)
InChIKeyAIWRMCMULYPNOD-UHFFFAOYSA-N
MW1375.57 g/mol
LogP11.32
Rot. Bonds19

About [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide

[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide (PubChem CID 157129424) has the molecular formula C75H78N18O9 and a molecular weight of 1375.57 g/mol. Its IUPAC name is [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
PubChem CID157129424
Molecular FormulaC75H78N18O9
Molecular Weight1375.57 g/mol
Exact Mass1374.62
IUPAC Name[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCCOCC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C26H28N6O3.C25H26N6O3.C24H24N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23;1-33-16-17-5-7-26-22(13-17)21-6-8-27-25(30-21)28-19-3-4-20-18(14-19)15-23(29-20)24(32)31-9-2-11-34-12-10-31;1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31);3-8,13-15,29H,2,9-12,16H2,1H3,(H,27,28,30);2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29)
InChIKeyAIWRMCMULYPNOD-UHFFFAOYSA-N
XLogP11.32
TPSA315.78 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.57
LogP ≤ 511.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide 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]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 71233798
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide
CID 71233869
Methyl 2-(2-acetyloxyacetyl)-1-[3-[[2-(2-fluoroacetyl)-1-pyrimidin-4-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]oxymethyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 142484159
8-amino-N-[[5-(3-fluoro-4-pyridinyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-11-oxa-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7-tetraene-4-carboxamide
CID 172488019
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
2-morpholin-4-ylethyl 5-[[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1-carbamoyl-4-methylpyrrole-2-carboxylate;hydrochloride
CID 70033026

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide (CID 157129424) is [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide is COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCCOCC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1.
What is the InChIKey of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The InChIKey is AIWRMCMULYPNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3.C25H26N6O3.C24H24N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23;1-33-16-17-5-7-26-22(13-17)21-6-8-27-25(30-21)28-19-3-4-20-18(14-19)15-23(29-20)24(32)31-9-2-11-34-12-10-31;1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31);3-8,13-15,29H,2,9-12,16H2,1H3,(H,27,28,30);2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29).
What are the key properties of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide has a molecular weight of 1375.57 g/mol, XLogP of 11.32, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 157129424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).