N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C23H22FN5O3 — CID 134328533

IUPACN-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CO
InChIInChI=1S/C23H22FN5O3/c1-13-5-19(24)18(23(31)27-16-3-4-16)6-17(13)14-8-26-29(11-14)22-9-25-21-7-20(32-2)15(12-30)10-28(21)22/h5-11,16,30H,3-4,12H2,1-2H3,(H,27,31)
InChIKeyOJSRQRCHMZGOHZ-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.03
Rot. Bonds6

About N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134328533) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134328533
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC NameN-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CO
InChIInChI=1S/C23H22FN5O3/c1-13-5-19(24)18(23(31)27-16-3-4-16)6-17(13)14-8-26-29(11-14)22-9-25-21-7-20(32-2)15(12-30)10-28(21)22/h5-11,16,30H,3-4,12H2,1-2H3,(H,27,31)
InChIKeyOJSRQRCHMZGOHZ-UHFFFAOYSA-N
XLogP3.03
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 134328533) is N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CO.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is OJSRQRCHMZGOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-13-5-19(24)18(23(31)27-16-3-4-16)6-17(13)14-8-26-29(11-14)22-9-25-21-7-20(32-2)15(12-30)10-28(21)22/h5-11,16,30H,3-4,12H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 435.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134328533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).