1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea

C27H31N7O — CID 121418052

IUPAC1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC(CCN4CCCCC4)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C27H31N7O/c1-20-16-23(10-12-28-20)34-25-19-29-26(17-22(25)18-30-34)32-27(35)31-24(21-8-4-2-5-9-21)11-15-33-13-6-3-7-14-33/h2,4-5,8-10,12,16-19,24H,3,6-7,11,13-15H2,1H3,(H2,29,31,32,35)
InChIKeyWEDPHUCSZBELEQ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.86
Rot. Bonds7

About 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea (PubChem CID 121418052) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea
PubChem CID121418052
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC(CCN4CCCCC4)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C27H31N7O/c1-20-16-23(10-12-28-20)34-25-19-29-26(17-22(25)18-30-34)32-27(35)31-24(21-8-4-2-5-9-21)11-15-33-13-6-3-7-14-33/h2,4-5,8-10,12,16-19,24H,3,6-7,11,13-15H2,1H3,(H2,29,31,32,35)
InChIKeyWEDPHUCSZBELEQ-UHFFFAOYSA-N
XLogP4.86
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416514
1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 146216032
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416712
1-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416699
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416741
1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
CID 146216000
(4S)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-5-morpholin-4-yl-4-phenylpentan-2-one
CID 152790741
N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 159211873
1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121432326
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea
CID 121416587
1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 46975986
1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid
CID 44823926

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea (CID 121418052) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea is Cc1cc(-n2ncc3cc(NC(=O)NC(CCN4CCCCC4)c4ccccc4)ncc32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea?
The InChIKey is WEDPHUCSZBELEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c1-20-16-23(10-12-28-20)34-25-19-29-26(17-22(25)18-30-34)32-27(35)31-24(21-8-4-2-5-9-21)11-15-33-13-6-3-7-14-33/h2,4-5,8-10,12,16-19,24H,3,6-7,11,13-15H2,1H3,(H2,29,31,32,35).
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea?
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea has a molecular weight of 469.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 121418052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).