1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea

C20H18N6O2 — CID 121416701

IUPAC1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2cc3cnn(-c4ccncc4)c3cn2)cc1
InChIInChI=1S/C20H18N6O2/c1-28-17-4-2-14(3-5-17)11-23-20(27)25-19-10-15-12-24-26(18(15)13-22-19)16-6-8-21-9-7-16/h2-10,12-13H,11H2,1H3,(H2,22,23,25,27)
InChIKeySTVIISHELPWFGC-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.15
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea

1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea (PubChem CID 121416701) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea
PubChem CID121416701
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2cc3cnn(-c4ccncc4)c3cn2)cc1
InChIInChI=1S/C20H18N6O2/c1-28-17-4-2-14(3-5-17)11-23-20(27)25-19-10-15-12-24-26(18(15)13-22-19)16-6-8-21-9-7-16/h2-10,12-13H,11H2,1H3,(H2,22,23,25,27)
InChIKeySTVIISHELPWFGC-UHFFFAOYSA-N
XLogP3.15
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
Pyrazolopyridazine 1
CID 6539361
N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411874
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555167
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
1-[3-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 89536143
2-[5-(4-methoxyphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134143802
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
Pyrazolo[1,5-b]pyridazine deriv. 42
CID 6539384
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539410

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea (CID 121416701) is 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea is COc1ccc(CNC(=O)Nc2cc3cnn(-c4ccncc4)c3cn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea?
The InChIKey is STVIISHELPWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-28-17-4-2-14(3-5-17)11-23-20(27)25-19-10-15-12-24-26(18(15)13-22-19)16-6-8-21-9-7-16/h2-10,12-13H,11H2,1H3,(H2,22,23,25,27).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea?
1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea has a molecular weight of 374.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)urea is sourced from PubChem (CID 121416701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).