1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea

C25H24F3N7O — CID 121432308

IUPAC1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4c4ccccc4C(F)(F)F)ncc32)ccn1
InChIInChI=1S/C25H24F3N7O/c1-15-9-17(7-8-29-15)35-22-12-30-23(10-16(22)11-31-35)33-24(36)32-21-14-34(2)13-19(21)18-5-3-4-6-20(18)25(26,27)28/h3-12,19,21H,13-14H2,1-2H3,(H2,30,32,33,36)/t19-,21+/m1/s1
InChIKeyXFZGIRZGTZITPJ-CTNGQTDRSA-N
MW495.51 g/mol
LogP4.36
Rot. Bonds4

About 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea (PubChem CID 121432308) has the molecular formula C25H24F3N7O and a molecular weight of 495.51 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea
PubChem CID121432308
Molecular FormulaC25H24F3N7O
Molecular Weight495.51 g/mol
Exact Mass495.20
IUPAC Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4c4ccccc4C(F)(F)F)ncc32)ccn1
InChIInChI=1S/C25H24F3N7O/c1-15-9-17(7-8-29-15)35-22-12-30-23(10-16(22)11-31-35)33-24(36)32-21-14-34(2)13-19(21)18-5-3-4-6-20(18)25(26,27)28/h3-12,19,21H,13-14H2,1-2H3,(H2,30,32,33,36)/t19-,21+/m1/s1
InChIKeyXFZGIRZGTZITPJ-CTNGQTDRSA-N
XLogP4.36
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea (CID 121432308) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4c4ccccc4C(F)(F)F)ncc32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea?
The InChIKey is XFZGIRZGTZITPJ-CTNGQTDRSA-N. The full InChI is InChI=1S/C25H24F3N7O/c1-15-9-17(7-8-29-15)35-22-12-30-23(10-16(22)11-31-35)33-24(36)32-21-14-34(2)13-19(21)18-5-3-4-6-20(18)25(26,27)28/h3-12,19,21H,13-14H2,1-2H3,(H2,30,32,33,36)/t19-,21+/m1/s1.
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea?
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea has a molecular weight of 495.51 g/mol, XLogP of 4.36, 4 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-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 121432308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).