1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea

C16H17N5O — CID 145106159

IUPAC1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea
SMILESCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2cn[nH]c12
InChIInChI=1S/C16H17N5O/c1-10(12-6-4-3-5-7-12)19-16(22)20-14-8-13-9-17-21-15(13)11(2)18-14/h3-10H,1-2H3,(H,17,21)(H2,18,19,20,22)/t10-/m1/s1
InChIKeyNOJWUGADWOGXPP-SNVBAGLBSA-N
MW295.35 g/mol
LogP3.15
Rot. Bonds3

About 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea

1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea (PubChem CID 145106159) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea
PubChem CID145106159
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea
SMILESCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2cn[nH]c12
InChIInChI=1S/C16H17N5O/c1-10(12-6-4-3-5-7-12)19-16(22)20-14-8-13-9-17-21-15(13)11(2)18-14/h3-10H,1-2H3,(H,17,21)(H2,18,19,20,22)/t10-/m1/s1
InChIKeyNOJWUGADWOGXPP-SNVBAGLBSA-N
XLogP3.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea with MolForge

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Related Compounds

1-(4-methyl-3-oxo-1-trityl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
CID 118272012
1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123850949
1-(1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 127566989
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 75181326
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
[1-(4-fluorophenyl)-5-[[(1R)-1-phenylethyl]carbamoylamino]pyrazolo[3,4-c]pyridin-7-yl]methylcarbamic acid
CID 130423109
6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 11983110
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123166578
1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
CID 146216000
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea (CID 145106159) is 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea is Cc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2cn[nH]c12.
What is the InChIKey of 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea?
The InChIKey is NOJWUGADWOGXPP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10(12-6-4-3-5-7-12)19-16(22)20-14-8-13-9-17-21-15(13)11(2)18-14/h3-10H,1-2H3,(H,17,21)(H2,18,19,20,22)/t10-/m1/s1.
What are the key properties of 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea?
1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea has a molecular weight of 295.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 145106159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).