1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C18H20ClN5O3 — CID 118365104

About 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118365104) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 118365104
• Molecular Formula: C18H20ClN5O3
• Molecular Weight: 389.84 g/mol
• Exact Mass: 389.13
• IUPAC Name: 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)nc([C@H](C)O)c12
• InChI: InChI=1S/C18H20ClN5O3/c1-9(11-5-4-6-12(19)7-11)20-18(26)22-14-8-13-15(16(21-14)10(2)25)17(27-3)24-23-13/h4-10,25H,1-3H3,(H,23,24)(H2,20,21,22,26)/t9-,10+/m1/s1
• InChIKey: SXEFJTQRIZQHIS-ZJUUUORDSA-N
• XLogP: 3.56
• TPSA: 112.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.84
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118365104) is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)nc([C@H](C)O)c12.

What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The InChIKey is SXEFJTQRIZQHIS-ZJUUUORDSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-9(11-5-4-6-12(19)7-11)20-18(26)22-14-8-13-15(16(21-14)10(2)25)17(27-3)24-23-13/h4-10,25H,1-3H3,(H,23,24)(H2,20,21,22,26)/t9-,10+/m1/s1.

What are the key properties of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 389.84 g/mol, XLogP of 3.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118365104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).