1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea

C21H19FN6O — CID 91457546

IUPAC1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(CN)c34)cc2)ccc1F
InChIInChI=1S/C21H19FN6O/c1-12-8-15(6-7-17(12)22)26-21(29)25-14-4-2-13(3-5-14)16-10-24-11-19-20(16)18(9-23)27-28-19/h2-8,10-11H,9,23H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyDAZYAXXAHLMSGS-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.18
Rot. Bonds4

About 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea

1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea (PubChem CID 91457546) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
PubChem CID91457546
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(CN)c34)cc2)ccc1F
InChIInChI=1S/C21H19FN6O/c1-12-8-15(6-7-17(12)22)26-21(29)25-14-4-2-13(3-5-14)16-10-24-11-19-20(16)18(9-23)27-28-19/h2-8,10-11H,9,23H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyDAZYAXXAHLMSGS-UHFFFAOYSA-N
XLogP4.18
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea with MolForge

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Related Compounds

1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 66680417
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769
1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 25134849
5-(aminomethyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63722889
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-[4-(3-amino-7-pyridin-3-yl-1H-indazol-4-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 66681573
1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
CID 53373996
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
3-amino-N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115180231
1-[4-(3-amino-2,1-benzoxazol-4-yl)phenyl]-3-(3-fluoro-4-methylphenyl)urea
CID 69169335

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea?
The IUPAC name of 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea (CID 91457546) is 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea?
The canonical SMILES for 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea is Cc1cc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(CN)c34)cc2)ccc1F.
What is the InChIKey of 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea?
The InChIKey is DAZYAXXAHLMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-8-15(6-7-17(12)22)26-21(29)25-14-4-2-13(3-5-14)16-10-24-11-19-20(16)18(9-23)27-28-19/h2-8,10-11H,9,23H2,1H3,(H,27,28)(H2,25,26,29).
What are the key properties of 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea?
1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea has a molecular weight of 390.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea is sourced from PubChem (CID 91457546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).