1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C17H17N5O3 — CID 118365419

About 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365419) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

• Compound Name: 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
• PubChem CID: 118365419
• Molecular Formula: C17H17N5O3
• Molecular Weight: 339.36 g/mol
• Exact Mass: 339.13
• IUPAC Name: 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
• SMILES: COc1n[nH]c2cc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)ncc12
• InChI: InChI=1S/C17H17N5O3/c1-25-16-11-8-18-14(7-12(11)21-22-16)19-17(24)20-15-10-5-3-2-4-9(10)6-13(15)23/h2-5,7-8,13,15,23H,6H2,1H3,(H,21,22)(H2,18,19,20,24)/t13-,15+/m1/s1
• InChIKey: CNMUOOLGZRHHET-HIFRSBDPSA-N
• XLogP: 1.75
• TPSA: 112.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.36
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?

The IUPAC name of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365419) is 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

What is the SMILES notation for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?

The canonical SMILES for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)ncc12.

What is the InChIKey of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?

The InChIKey is CNMUOOLGZRHHET-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-25-16-11-8-18-14(7-12(11)21-22-16)19-17(24)20-15-10-5-3-2-4-9(10)6-13(15)23/h2-5,7-8,13,15,23H,6H2,1H3,(H,21,22)(H2,18,19,20,24)/t13-,15+/m1/s1.

What are the key properties of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 339.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).