6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H28FN5O2 — CID 134803967

IUPAC6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2c1c(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)nn2C
InChIInChI=1S/C25H28FN5O2/c1-27-25(33)19-14-20(16-5-6-16)28-24-22(19)23(29-30(24)2)17-9-11-31(12-10-17)21(32)13-15-3-7-18(26)8-4-15/h3-4,7-8,14,16-17H,5-6,9-13H2,1-2H3,(H,27,33)
InChIKeyLDKYQORFKMMYED-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.29
Rot. Bonds5

About 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134803967) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134803967
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2c1c(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)nn2C
InChIInChI=1S/C25H28FN5O2/c1-27-25(33)19-14-20(16-5-6-16)28-24-22(19)23(29-30(24)2)17-9-11-31(12-10-17)21(32)13-15-3-7-18(26)8-4-15/h3-4,7-8,14,16-17H,5-6,9-13H2,1-2H3,(H,27,33)
InChIKeyLDKYQORFKMMYED-UHFFFAOYSA-N
XLogP3.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801793
3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803082
6-cyclopropyl-N,1-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803146
6-cyclopropyl-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803718
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 110251577
N,6-dicyclopropyl-1-methyl-3-piperidin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 118740506
3,6-dicyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588428
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
CID 19588511
5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 125016140
3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802466

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134803967) is 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2c1c(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)nn2C.
What is the InChIKey of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LDKYQORFKMMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-27-25(33)19-14-20(16-5-6-16)28-24-22(19)23(29-30(24)2)17-9-11-31(12-10-17)21(32)13-15-3-7-18(26)8-4-15/h3-4,7-8,14,16-17H,5-6,9-13H2,1-2H3,(H,27,33).
What are the key properties of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134803967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).