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

C23H26N10O2S — CID 158276987

About 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

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 (PubChem CID 158276987) has the molecular formula C23H26N10O2S and a molecular weight of 506.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158276987
• Molecular Formula: C23H26N10O2S
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.20
• IUPAC Name: 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
• SMILES: C[C@H](Nc1c(-c2nc3cc(N4CCOCC4)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.S
• InChI: InChI=1S/C23H24N10O2.H2S/c1-13(21-24-4-3-5-25-21)27-20-18(23(34)30-16-12-32(2)31-19(16)20)22-28-14-10-17(26-11-15(14)29-22)33-6-8-35-9-7-33;/h3-5,10-13,27H,6-9H2,1-2H3,(H,28,29)(H,30,34);1H2/t13-;/m0./s1
• InChIKey: GJSNFUCRLILTLC-ZOWNYOTGSA-N
• XLogP: 2.11
• TPSA: 142.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C[C@H](Nc1c(-c2nc3cc(N4CCOCC4)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.S.

What is the InChIKey of 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?

The InChIKey is GJSNFUCRLILTLC-ZOWNYOTGSA-N. The full InChI is InChI=1S/C23H24N10O2.H2S/c1-13(21-24-4-3-5-25-21)27-20-18(23(34)30-16-12-32(2)31-19(16)20)22-28-14-10-17(26-11-15(14)29-22)33-6-8-35-9-7-33;/h3-5,10-13,27H,6-9H2,1-2H3,(H,28,29)(H,30,34);1H2/t13-;/m0./s1.

What are the key properties of 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?

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 has a molecular weight of 506.60 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158276987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).