4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C20H24F2N4O — CID 136554323

IUPAC4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNCC1CCCn2ncc(C(=O)NC3(c4ccc(F)cc4F)CCCC3)c21
InChIInChI=1S/C20H24F2N4O/c21-14-5-6-16(17(22)10-14)20(7-1-2-8-20)25-19(27)15-12-24-26-9-3-4-13(11-23)18(15)26/h5-6,10,12-13H,1-4,7-9,11,23H2,(H,25,27)
InChIKeyDJMKEUQZNBWULN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.20
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 136554323) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID136554323
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNCC1CCCn2ncc(C(=O)NC3(c4ccc(F)cc4F)CCCC3)c21
InChIInChI=1S/C20H24F2N4O/c21-14-5-6-16(17(22)10-14)20(7-1-2-8-20)25-19(27)15-12-24-26-9-3-4-13(11-23)18(15)26/h5-6,10,12-13H,1-4,7-9,11,23H2,(H,25,27)
InChIKeyDJMKEUQZNBWULN-UHFFFAOYSA-N
XLogP3.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
(7R)-N-[1-(2,4-difluorophenyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97248227
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide
CID 166322054
N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 127701866
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
CID 139007664
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
N-[1-(2,4-difluorophenyl)cyclobutyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
CID 140649087
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
(3S,7R)-N-[1-(2,4-difluorophenyl)cyclopropyl]-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 90311813
4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110481806

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 136554323) is 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is NCC1CCCn2ncc(C(=O)NC3(c4ccc(F)cc4F)CCCC3)c21.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DJMKEUQZNBWULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c21-14-5-6-16(17(22)10-14)20(7-1-2-8-20)25-19(27)15-12-24-26-9-3-4-13(11-23)18(15)26/h5-6,10,12-13H,1-4,7-9,11,23H2,(H,25,27).
What are the key properties of 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 136554323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).