3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C26H25FN4O — CID 51856917

IUPAC3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C26H25FN4O/c1-3-20-15-22(26(32)28-16(2)17-7-5-4-6-8-17)23-24(18-9-10-18)30-31(25(23)29-20)21-13-11-19(27)12-14-21/h4-8,11-16,18H,3,9-10H2,1-2H3,(H,28,32)/t16-/m1/s1
InChIKeyQSMJNANLBAWFSC-MRXNPFEDSA-N
MW428.51 g/mol
LogP5.49
Rot. Bonds6

About 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51856917) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51856917
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C26H25FN4O/c1-3-20-15-22(26(32)28-16(2)17-7-5-4-6-8-17)23-24(18-9-10-18)30-31(25(23)29-20)21-13-11-19(27)12-14-21/h4-8,11-16,18H,3,9-10H2,1-2H3,(H,28,32)/t16-/m1/s1
InChIKeyQSMJNANLBAWFSC-MRXNPFEDSA-N
XLogP5.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 51856917) is 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is QSMJNANLBAWFSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-3-20-15-22(26(32)28-16(2)17-7-5-4-6-8-17)23-24(18-9-10-18)30-31(25(23)29-20)21-13-11-19(27)12-14-21/h4-8,11-16,18H,3,9-10H2,1-2H3,(H,28,32)/t16-/m1/s1.
What are the key properties of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51856917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).