1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea

C15H14F2N6O2 — CID 118380921

IUPAC1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
SMILESNc1n[nH]c2cc(NC(=O)NCc3ccccc3OC(F)F)ncc12
InChIInChI=1S/C15H14F2N6O2/c16-14(17)25-11-4-2-1-3-8(11)6-20-15(24)21-12-5-10-9(7-19-12)13(18)23-22-10/h1-5,7,14H,6H2,(H3,18,22,23)(H2,19,20,21,24)
InChIKeyHOSNVQWLXZXGOE-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.46
Rot. Bonds5

About 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea

1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea (PubChem CID 118380921) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
PubChem CID118380921
Molecular FormulaC15H14F2N6O2
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
SMILESNc1n[nH]c2cc(NC(=O)NCc3ccccc3OC(F)F)ncc12
InChIInChI=1S/C15H14F2N6O2/c16-14(17)25-11-4-2-1-3-8(11)6-20-15(24)21-12-5-10-9(7-19-12)13(18)23-22-10/h1-5,7,14H,6H2,(H3,18,22,23)(H2,19,20,21,24)
InChIKeyHOSNVQWLXZXGOE-UHFFFAOYSA-N
XLogP2.46
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 118380837
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
CID 74225609
2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30253696
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea
CID 123990060
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
CID 144599326
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea (CID 118380921) is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea is Nc1n[nH]c2cc(NC(=O)NCc3ccccc3OC(F)F)ncc12.
What is the InChIKey of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
The InChIKey is HOSNVQWLXZXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2/c16-14(17)25-11-4-2-1-3-8(11)6-20-15(24)21-12-5-10-9(7-19-12)13(18)23-22-10/h1-5,7,14H,6H2,(H3,18,22,23)(H2,19,20,21,24).
What are the key properties of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea has a molecular weight of 348.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 118380921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).