N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C23H22FN5O2 — CID 134328464

IUPACN-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc([C@H](C)O)cn23)c1
InChIInChI=1S/C23H22FN5O2/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)/t14-/m0/s1
InChIKeyGIJATLTVBNYMHU-AWEZNQCLSA-N
MW419.46 g/mol
LogP3.58
Rot. Bonds5

About N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134328464) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134328464
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc([C@H](C)O)cn23)c1
InChIInChI=1S/C23H22FN5O2/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)/t14-/m0/s1
InChIKeyGIJATLTVBNYMHU-AWEZNQCLSA-N
XLogP3.58
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 134328464) is N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc([C@H](C)O)cn23)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is GIJATLTVBNYMHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 419.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[1-[6-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134328464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).