1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid

C23H21F2N5O3 — CID 166775025

IUPAC1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
SMILESCc1ccn2c(CC3CNCCO3)c(-c3c(F)cc(-n4ccc(C(=O)O)n4)cc3F)nc2c1
InChIInChI=1S/C23H21F2N5O3/c1-13-2-5-29-19(11-15-12-26-4-7-33-15)22(27-20(29)8-13)21-16(24)9-14(10-17(21)25)30-6-3-18(28-30)23(31)32/h2-3,5-6,8-10,15,26H,4,7,11-12H2,1H3,(H,31,32)
InChIKeyIFMWDQFCQCCWSN-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.00
Rot. Bonds5

About 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid

1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid (PubChem CID 166775025) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
PubChem CID166775025
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC Name1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
SMILESCc1ccn2c(CC3CNCCO3)c(-c3c(F)cc(-n4ccc(C(=O)O)n4)cc3F)nc2c1
InChIInChI=1S/C23H21F2N5O3/c1-13-2-5-29-19(11-15-12-26-4-7-33-15)22(27-20(29)8-13)21-16(24)9-14(10-17(21)25)30-6-3-18(28-30)23(31)32/h2-3,5-6,8-10,15,26H,4,7,11-12H2,1H3,(H,31,32)
InChIKeyIFMWDQFCQCCWSN-UHFFFAOYSA-N
XLogP3.00
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
CID 154965100
1-[3-fluoro-5-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]ethanone
CID 177064297
(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154964970
(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
CID 162374967
N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 162375023
methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 156827636
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154965270
2-[[2-[4-(2,5-dioxopyrrolidin-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175041705
1-[4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]imidazolidin-2-one
CID 162354624
2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine
CID 166774957
2-[[2-[2,6-difluoro-4-(methylcarbamoyloxy)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175039705
N-[4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]acetamide
CID 156904792

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid (CID 166775025) is 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid is Cc1ccn2c(CC3CNCCO3)c(-c3c(F)cc(-n4ccc(C(=O)O)n4)cc3F)nc2c1.
What is the InChIKey of 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is IFMWDQFCQCCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-13-2-5-29-19(11-15-12-26-4-7-33-15)22(27-20(29)8-13)21-16(24)9-14(10-17(21)25)30-6-3-18(28-30)23(31)32/h2-3,5-6,8-10,15,26H,4,7,11-12H2,1H3,(H,31,32).
What are the key properties of 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid?
1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 453.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 166775025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).