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

C22H24N10O — CID 138633789

IUPAC6-[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
SMILESCC[C@H](Nc1c(-c2nc3cc(N(C)C)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
InChIInChI=1S/C22H24N10O/c1-5-12(20-23-7-6-8-24-20)26-19-17(22(33)29-15-11-32(4)30-18(15)19)21-27-13-9-16(31(2)3)25-10-14(13)28-21/h6-12,26H,5H2,1-4H3,(H,27,28)(H,29,33)/t12-/m0/s1
InChIKeyCOCDSZWBZYPCHX-LBPRGKRZSA-N
MW444.50 g/mol
LogP2.62
Rot. Bonds6

About 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

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 (PubChem CID 138633789) has the molecular formula C22H24N10O and a molecular weight of 444.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID138633789
Molecular FormulaC22H24N10O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name6-[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
SMILESCC[C@H](Nc1c(-c2nc3cc(N(C)C)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
InChIInChI=1S/C22H24N10O/c1-5-12(20-23-7-6-8-24-20)26-19-17(22(33)29-15-11-32(4)30-18(15)19)21-27-13-9-16(31(2)3)25-10-14(13)28-21/h6-12,26H,5H2,1-4H3,(H,27,28)(H,29,33)/t12-/m0/s1
InChIKeyCOCDSZWBZYPCHX-LBPRGKRZSA-N
XLogP2.62
TPSA133.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H](Nc1c(-c2nc3cc(N(C)C)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.
What is the InChIKey of 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?
The InChIKey is COCDSZWBZYPCHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H24N10O/c1-5-12(20-23-7-6-8-24-20)26-19-17(22(33)29-15-11-32(4)30-18(15)19)21-27-13-9-16(31(2)3)25-10-14(13)28-21/h6-12,26H,5H2,1-4H3,(H,27,28)(H,29,33)/t12-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 444.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138633789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).