N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C20H20FN5O — CID 138989784

IUPACN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)C1CCn2cncc2C1
InChIInChI=1S/C20H20FN5O/c21-15-3-1-2-13(8-15)18-19(17(24-25-18)12-4-5-12)23-20(27)14-6-7-26-11-22-10-16(26)9-14/h1-3,8,10-12,14H,4-7,9H2,(H,23,27)(H,24,25)
InChIKeyXOTCGBYRVJGUQC-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.49
Rot. Bonds4

About N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 138989784) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID138989784
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)C1CCn2cncc2C1
InChIInChI=1S/C20H20FN5O/c21-15-3-1-2-13(8-15)18-19(17(24-25-18)12-4-5-12)23-20(27)14-6-7-26-11-22-10-16(26)9-14/h1-3,8,10-12,14H,4-7,9H2,(H,23,27)(H,24,25)
InChIKeyXOTCGBYRVJGUQC-UHFFFAOYSA-N
XLogP3.49
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 138989784) is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)C1CCn2cncc2C1.
What is the InChIKey of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is XOTCGBYRVJGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-15-3-1-2-13(8-15)18-19(17(24-25-18)12-4-5-12)23-20(27)14-6-7-26-11-22-10-16(26)9-14/h1-3,8,10-12,14H,4-7,9H2,(H,23,27)(H,24,25).
What are the key properties of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 138989784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).