2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one

C25H27N9O2 — CID 154698490

IUPAC2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESCC[C@@H](Nc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
InChIInChI=1S/C25H27N9O2/c1-3-16(23-26-7-4-8-27-23)28-22-20(25(35)31-19-14-33(2)32-21(19)22)24-29-17-6-5-15(13-18(17)30-24)34-9-11-36-12-10-34/h4-8,13-14,16,28H,3,9-12H2,1-2H3,(H,29,30)(H,31,35)/t16-/m1/s1
InChIKeyMUFLAPVOUUMOEF-MRXNPFEDSA-N
MW485.55 g/mol
LogP2.99
Rot. Bonds6

About 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one

2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 154698490) has the molecular formula C25H27N9O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID154698490
Molecular FormulaC25H27N9O2
Molecular Weight485.55 g/mol
Exact Mass485.23
IUPAC Name2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESCC[C@@H](Nc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
InChIInChI=1S/C25H27N9O2/c1-3-16(23-26-7-4-8-27-23)28-22-20(25(35)31-19-14-33(2)32-21(19)22)24-29-17-6-5-15(13-18(17)30-24)34-9-11-36-12-10-34/h4-8,13-14,16,28H,3,9-12H2,1-2H3,(H,29,30)(H,31,35)/t16-/m1/s1
InChIKeyMUFLAPVOUUMOEF-MRXNPFEDSA-N
XLogP2.99
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one with MolForge

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Related Compounds

2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138662183
6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138633789
6-(4-fluoro-6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;sulfane
CID 162036010
6-[5-(2-hydroxyethylamino)-6-methyl-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138662563
methane;6-(6-methoxy-1H-benzimidazol-2-yl)-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 167684486
2-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(1-phenylethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138663002
2-methyl-6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;sulfane
CID 158276987
2-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-[1-[3-(trifluoromethyl)-2-pyridinyl]ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 154698484
6-(6-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138671759
2-ethyl-6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;sulfane
CID 160769082
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrazin-2-ylethylamino)-1H-quinolin-2-one
CID 137393959
3-[6-[(2R)-2-methylmorpholin-4-yl]-1H-benzimidazol-2-yl]-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one (CID 154698490) is 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one is CC[C@@H](Nc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.
What is the InChIKey of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is MUFLAPVOUUMOEF-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H27N9O2/c1-3-16(23-26-7-4-8-27-23)28-22-20(25(35)31-19-14-33(2)32-21(19)22)24-29-17-6-5-15(13-18(17)30-24)34-9-11-36-12-10-34/h4-8,13-14,16,28H,3,9-12H2,1-2H3,(H,29,30)(H,31,35)/t16-/m1/s1.
What are the key properties of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 485.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 154698490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).