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

C24H28N10O2S — CID 160769082

About 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

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 (PubChem CID 160769082) has the molecular formula C24H28N10O2S and a molecular weight of 520.62 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160769082
• Molecular Formula: C24H28N10O2S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.21
• IUPAC Name: 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
• SMILES: CCn1cc2[nH]c(=O)c(-c3nc4cc(N5CCOCC5)ncc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.S
• InChI: InChI=1S/C24H26N10O2.H2S/c1-3-34-13-17-20(32-34)21(28-14(2)22-25-5-4-6-26-22)19(24(35)31-17)23-29-15-11-18(27-12-16(15)30-23)33-7-9-36-10-8-33;/h4-6,11-14,28H,3,7-10H2,1-2H3,(H,29,30)(H,31,35);1H2/t14-;/m0./s1
• InChIKey: RZBMVLSQHCJDSH-UQKRIMTDSA-N
• XLogP: 2.60
• TPSA: 142.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCn1cc2[nH]c(=O)c(-c3nc4cc(N5CCOCC5)ncc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.S.

What is the InChIKey of 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?

The InChIKey is RZBMVLSQHCJDSH-UQKRIMTDSA-N. The full InChI is InChI=1S/C24H26N10O2.H2S/c1-3-34-13-17-20(32-34)21(28-14(2)22-25-5-4-6-26-22)19(24(35)31-17)23-29-15-11-18(27-12-16(15)30-23)33-7-9-36-10-8-33;/h4-6,11-14,28H,3,7-10H2,1-2H3,(H,29,30)(H,31,35);1H2/t14-;/m0./s1.

What are the key properties of 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?

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 has a molecular weight of 520.62 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160769082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).