4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide

C25H27N7O2 — CID 25098500

IUPAC4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide
SMILESCCN(Cc1nc(-c2cc(C(N)=O)cc3[nH]ccc23)cc(N2CCOCC2)n1)c1cccnc1
InChIInChI=1S/C25H27N7O2/c1-2-31(18-4-3-6-27-15-18)16-23-29-22(14-24(30-23)32-8-10-34-11-9-32)20-12-17(25(26)33)13-21-19(20)5-7-28-21/h3-7,12-15,28H,2,8-11,16H2,1H3,(H2,26,33)
InChIKeyRSJVCLPUMQMKLL-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.98
Rot. Bonds7

About 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide

4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide (PubChem CID 25098500) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide
PubChem CID25098500
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide
SMILESCCN(Cc1nc(-c2cc(C(N)=O)cc3[nH]ccc23)cc(N2CCOCC2)n1)c1cccnc1
InChIInChI=1S/C25H27N7O2/c1-2-31(18-4-3-6-27-15-18)16-23-29-22(14-24(30-23)32-8-10-34-11-9-32)20-12-17(25(26)33)13-21-19(20)5-7-28-21/h3-7,12-15,28H,2,8-11,16H2,1H3,(H2,26,33)
InChIKeyRSJVCLPUMQMKLL-UHFFFAOYSA-N
XLogP2.98
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
CID 25097394
4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
CID 71584420
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide
CID 68703986
N-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 25097952
N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 25097953
4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
CID 25109300
N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine
CID 87545294
4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide
CID 71721536
N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
CID 91548617
2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine
CID 94075304
4-[6-(6-fluoro-1H-indol-4-yl)-2-methylperoxysulfanylpyrimidin-4-yl]morpholine
CID 59333830
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide?
The IUPAC name of 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide (CID 25098500) is 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide?
The canonical SMILES for 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide is CCN(Cc1nc(-c2cc(C(N)=O)cc3[nH]ccc23)cc(N2CCOCC2)n1)c1cccnc1.
What is the InChIKey of 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide?
The InChIKey is RSJVCLPUMQMKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-2-31(18-4-3-6-27-15-18)16-23-29-22(14-24(30-23)32-8-10-34-11-9-32)20-12-17(25(26)33)13-21-19(20)5-7-28-21/h3-7,12-15,28H,2,8-11,16H2,1H3,(H2,26,33).
What are the key properties of 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide?
4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 25098500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).