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

C26H29FN6O3 — CID 155015382

IUPACN-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C(C)(O)N(C)C
InChIInChI=1S/C26H29FN6O3/c1-15-8-21(27)19(25(34)30-17-6-7-17)9-18(15)16-11-29-33(13-16)24-12-28-23-10-22(36-5)20(14-32(23)24)26(2,35)31(3)4/h8-14,17,35H,6-7H2,1-5H3,(H,30,34)
InChIKeyKJSBAVNCEPKSLI-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.26
Rot. Bonds7

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

N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 155015382) has the molecular formula C26H29FN6O3 and a molecular weight of 492.56 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID155015382
Molecular FormulaC26H29FN6O3
Molecular Weight492.56 g/mol
Exact Mass492.23
IUPAC NameN-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C(C)(O)N(C)C
InChIInChI=1S/C26H29FN6O3/c1-15-8-21(27)19(25(34)30-17-6-7-17)9-18(15)16-11-29-33(13-16)24-12-28-23-10-22(36-5)20(14-32(23)24)26(2,35)31(3)4/h8-14,17,35H,6-7H2,1-5H3,(H,30,34)
InChIKeyKJSBAVNCEPKSLI-UHFFFAOYSA-N
XLogP3.26
TPSA96.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 155015382) is N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C(C)(O)N(C)C.
What is the InChIKey of N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is KJSBAVNCEPKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3/c1-15-8-21(27)19(25(34)30-17-6-7-17)9-18(15)16-11-29-33(13-16)24-12-28-23-10-22(36-5)20(14-32(23)24)26(2,35)31(3)4/h8-14,17,35H,6-7H2,1-5H3,(H,30,34).
What are the key properties of N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 492.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 155015382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).