1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C24H24FN5O2 — CID 59278105

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(C)(C)O)c1
InChIInChI=1S/C24H24FN5O2/c1-4-20(15-9-10-27-22(11-15)24(2,3)32)29-23(31)19-12-26-14-21-18(19)13-28-30(21)17-7-5-16(25)6-8-17/h5-14,20,32H,4H2,1-3H3,(H,29,31)/t20-/m0/s1
InChIKeyXMKIGMLFUKDFFN-FQEVSTJZSA-N
MW433.49 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278105) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278105
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(C)(C)O)c1
InChIInChI=1S/C24H24FN5O2/c1-4-20(15-9-10-27-22(11-15)24(2,3)32)29-23(31)19-12-26-14-21-18(19)13-28-30(21)17-7-5-16(25)6-8-17/h5-14,20,32H,4H2,1-3H3,(H,29,31)/t20-/m0/s1
InChIKeyXMKIGMLFUKDFFN-FQEVSTJZSA-N
XLogP4.06
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278105) is 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(C)(C)O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is XMKIGMLFUKDFFN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-4-20(15-9-10-27-22(11-15)24(2,3)32)29-23(31)19-12-26-14-21-18(19)13-28-30(21)17-7-5-16(25)6-8-17/h5-14,20,32H,4H2,1-3H3,(H,29,31)/t20-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).