1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea

C14H12ClFN6O — CID 118380837

IUPAC1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
SMILESNc1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12
InChIInChI=1S/C14H12ClFN6O/c15-9-3-7(1-2-10(9)16)5-19-14(23)20-12-4-11-8(6-18-12)13(17)22-21-11/h1-4,6H,5H2,(H3,17,21,22)(H2,18,19,20,23)
InChIKeyCXCLDXLGNVZEHJ-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.65
Rot. Bonds3

About 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea

1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea (PubChem CID 118380837) has the molecular formula C14H12ClFN6O and a molecular weight of 334.74 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
PubChem CID118380837
Molecular FormulaC14H12ClFN6O
Molecular Weight334.74 g/mol
Exact Mass334.07
IUPAC Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
SMILESNc1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12
InChIInChI=1S/C14H12ClFN6O/c15-9-3-7(1-2-10(9)16)5-19-14(23)20-12-4-11-8(6-18-12)13(17)22-21-11/h1-4,6H,5H2,(H3,17,21,22)(H2,18,19,20,23)
InChIKeyCXCLDXLGNVZEHJ-UHFFFAOYSA-N
XLogP2.65
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea with MolForge

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Related Compounds

1-(4-amino-5-carbamimidoyl-2-pyridinyl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 135293249
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 118380921
1-(4-aminophenyl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 62532764
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
CID 144599326
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
[6-[[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl] carbamate
CID 118381378
1-[(3-chloro-4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416450
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 71555314

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea (CID 118380837) is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea is Nc1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12.
What is the InChIKey of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea?
The InChIKey is CXCLDXLGNVZEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN6O/c15-9-3-7(1-2-10(9)16)5-19-14(23)20-12-4-11-8(6-18-12)13(17)22-21-11/h1-4,6H,5H2,(H3,17,21,22)(H2,18,19,20,23).
What are the key properties of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea?
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea has a molecular weight of 334.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea is sourced from PubChem (CID 118380837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).