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

C21H21N9O3 — CID 138671759

IUPAC6-(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
SMILESCOC[C@@H](Nc1c(-c2nc3cc(OC)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
InChIInChI=1S/C21H21N9O3/c1-30-9-13-17(29-30)18(25-14(10-32-2)19-22-5-4-6-23-19)16(21(31)28-13)20-26-11-7-15(33-3)24-8-12(11)27-20/h4-9,14,25H,10H2,1-3H3,(H,26,27)(H,28,31)/t14-/m1/s1
InChIKeyGHFTYKKDAQACSG-CQSZACIVSA-N
MW447.46 g/mol
LogP1.80
Rot. Bonds7

About 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

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 (PubChem CID 138671759) has the molecular formula C21H21N9O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID138671759
Molecular FormulaC21H21N9O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name6-(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
SMILESCOC[C@@H](Nc1c(-c2nc3cc(OC)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
InChIInChI=1S/C21H21N9O3/c1-30-9-13-17(29-30)18(25-14(10-32-2)19-22-5-4-6-23-19)16(21(31)28-13)20-26-11-7-15(33-3)24-8-12(11)27-20/h4-9,14,25H,10H2,1-3H3,(H,26,27)(H,28,31)/t14-/m1/s1
InChIKeyGHFTYKKDAQACSG-CQSZACIVSA-N
XLogP1.80
TPSA148.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC[C@@H](Nc1c(-c2nc3cc(OC)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.
What is the InChIKey of 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?
The InChIKey is GHFTYKKDAQACSG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N9O3/c1-30-9-13-17(29-30)18(25-14(10-32-2)19-22-5-4-6-23-19)16(21(31)28-13)20-26-11-7-15(33-3)24-8-12(11)27-20/h4-9,14,25H,10H2,1-3H3,(H,26,27)(H,28,31)/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 447.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138671759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).