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

C26H29N9O2 — CID 154698485

IUPAC6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESC[C@@H]1CN(c2ccc3nc(-c4c(N[C@@H](C)c5ncccn5)c5nn(C)cc5[nH]c4=O)[nH]c3c2)C[C@H](C)O1
InChIInChI=1S/C26H29N9O2/c1-14-11-35(12-15(2)37-14)17-6-7-18-19(10-17)31-25(30-18)21-23(29-16(3)24-27-8-5-9-28-24)22-20(32-26(21)36)13-34(4)33-22/h5-10,13-16,29H,11-12H2,1-4H3,(H,30,31)(H,32,36)/t14-,15+,16-/m0/s1
InChIKeyGLWOTLDNVFBPKX-XHSDSOJGSA-N
MW499.58 g/mol
LogP3.38
Rot. Bonds5

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

6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 154698485) has the molecular formula C26H29N9O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID154698485
Molecular FormulaC26H29N9O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC Name6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESC[C@@H]1CN(c2ccc3nc(-c4c(N[C@@H](C)c5ncccn5)c5nn(C)cc5[nH]c4=O)[nH]c3c2)C[C@H](C)O1
InChIInChI=1S/C26H29N9O2/c1-14-11-35(12-15(2)37-14)17-6-7-18-19(10-17)31-25(30-18)21-23(29-16(3)24-27-8-5-9-28-24)22-20(32-26(21)36)13-34(4)33-22/h5-10,13-16,29H,11-12H2,1-4H3,(H,30,31)(H,32,36)/t14-,15+,16-/m0/s1
InChIKeyGLWOTLDNVFBPKX-XHSDSOJGSA-N
XLogP3.38
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

CID 135909514
CID 135909514
CID 138376590
CID 138376590
CID 12988793
CID 12988793
CID 138661817
CID 138661817
CID 138661878
CID 138661878
CID 138662420
CID 138662420
CID 138662575
CID 138662575
CID 127051445
CID 127051445
CID 11948697
CID 11948697
CID 76072259
CID 76072259
CID 135839368
CID 135839368
CID 135839371
CID 135839371

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one (CID 154698485) is 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one is C[C@@H]1CN(c2ccc3nc(-c4c(N[C@@H](C)c5ncccn5)c5nn(C)cc5[nH]c4=O)[nH]c3c2)C[C@H](C)O1.
What is the InChIKey of 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is GLWOTLDNVFBPKX-XHSDSOJGSA-N. The full InChI is InChI=1S/C26H29N9O2/c1-14-11-35(12-15(2)37-14)17-6-7-18-19(10-17)31-25(30-18)21-23(29-16(3)24-27-8-5-9-28-24)22-20(32-26(21)36)13-34(4)33-22/h5-10,13-16,29H,11-12H2,1-4H3,(H,30,31)(H,32,36)/t14-,15+,16-/m0/s1.
What are the key properties of 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 499.58 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 154698485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).