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

C16H16FN5O2 — CID 118365227

IUPAC1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)ncc12
InChIInChI=1S/C16H16FN5O2/c1-9(10-4-3-5-11(17)6-10)19-16(23)20-14-7-13-12(8-18-14)15(24-2)22-21-13/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)/t9-/m1/s1
InChIKeyRNHNSYNZSKSFNS-SECBINFHSA-N
MW329.34 g/mol
LogP2.99
Rot. Bonds4

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

1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365227) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365227
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)ncc12
InChIInChI=1S/C16H16FN5O2/c1-9(10-4-3-5-11(17)6-10)19-16(23)20-14-7-13-12(8-18-14)15(24-2)22-21-13/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)/t9-/m1/s1
InChIKeyRNHNSYNZSKSFNS-SECBINFHSA-N
XLogP2.99
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365369
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365348
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456
[6-[[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl] carbamate
CID 118381378
1-[1-(4-fluorophenyl)ethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123204732
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[1-(4-fluorophenyl)ethyl]-3-[3-(3-methoxyazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123527581
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea
CID 123565254
1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118365302

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365227) is 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)ncc12.
What is the InChIKey of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is RNHNSYNZSKSFNS-SECBINFHSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-9(10-4-3-5-11(17)6-10)19-16(23)20-14-7-13-12(8-18-14)15(24-2)22-21-13/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 329.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).