(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea

C14H13N5O — CID 139016323

IUPAC(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
SMILESCc1nn(-c2ccccc2)c2ncc(NC(N)=O)cc12
InChIInChI=1S/C14H13N5O/c1-9-12-7-10(17-14(15)20)8-16-13(12)19(18-9)11-5-3-2-4-6-11/h2-8H,1H3,(H3,15,17,20)
InChIKeyLEAPTNGJGQDMOV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.22
Rot. Bonds2

About (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea

(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea (PubChem CID 139016323) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea.

Molecular Properties

Compound Name(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
PubChem CID139016323
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
SMILESCc1nn(-c2ccccc2)c2ncc(NC(N)=O)cc12
InChIInChI=1S/C14H13N5O/c1-9-12-7-10(17-14(15)20)8-16-13(12)19(18-9)11-5-3-2-4-6-11/h2-8H,1H3,(H3,15,17,20)
InChIKeyLEAPTNGJGQDMOV-UHFFFAOYSA-N
XLogP2.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863
2,3,6-trichloro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108730037
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
CID 108730069
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
(2R,5R)-5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)oxolane-2-carboxamide
CID 136587864
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753832
(E)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108753787
2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
CID 108753739

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea?
The IUPAC name of (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea (CID 139016323) is (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea.
What is the SMILES notation for (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea?
The canonical SMILES for (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea is Cc1nn(-c2ccccc2)c2ncc(NC(N)=O)cc12.
What is the InChIKey of (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea?
The InChIKey is LEAPTNGJGQDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-12-7-10(17-14(15)20)8-16-13(12)19(18-9)11-5-3-2-4-6-11/h2-8H,1H3,(H3,15,17,20).
What are the key properties of (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea?
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea has a molecular weight of 267.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea is sourced from PubChem (CID 139016323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).