5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide

C26H28N8O2 — CID 121272476

IUPAC5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2cc(-c3ccc4c(c3)ncn4CC3CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C26H28N8O2/c1-27-25(35)20-6-5-19(14-28-20)30-24-13-21(31-26(32-24)33-8-10-36-11-9-33)18-4-7-23-22(12-18)29-16-34(23)15-17-2-3-17/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H,27,35)(H,30,31,32)
InChIKeyDZEJBQZIHLVGKA-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.24
Rot. Bonds7

About 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide

5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 121272476) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID121272476
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2cc(-c3ccc4c(c3)ncn4CC3CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C26H28N8O2/c1-27-25(35)20-6-5-19(14-28-20)30-24-13-21(31-26(32-24)33-8-10-36-11-9-33)18-4-7-23-22(12-18)29-16-34(23)15-17-2-3-17/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H,27,35)(H,30,31,32)
InChIKeyDZEJBQZIHLVGKA-UHFFFAOYSA-N
XLogP3.24
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121275971
methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121276017
4-[[6-[3-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylbenzamide
CID 121272490
methyl 4-[[6-[3-(2-methoxyethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121272534
4-[[2-morpholin-4-yl-6-[3-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]pyrimidin-4-yl]amino]benzoic acid
CID 121275994
methyl 4-[[6-[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 138656789
methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276037
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide (CID 121272476) is 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(Nc2cc(-c3ccc4c(c3)ncn4CC3CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is DZEJBQZIHLVGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-27-25(35)20-6-5-19(14-28-20)30-24-13-21(31-26(32-24)33-8-10-36-11-9-33)18-4-7-23-22(12-18)29-16-34(23)15-17-2-3-17/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H,27,35)(H,30,31,32).
What are the key properties of 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide?
5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121272476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).