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

C29H32F2N6O2 — CID 134328570

IUPACN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1
InChIInChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)
InChIKeyZRUUJLVXQJKMEW-UHFFFAOYSA-N
MW534.61 g/mol
LogP4.82
Rot. Bonds7

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

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328570) has the molecular formula C29H32F2N6O2 and a molecular weight of 534.61 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134328570
Molecular FormulaC29H32F2N6O2
Molecular Weight534.61 g/mol
Exact Mass534.26
IUPAC NameN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1
InChIInChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)
InChIKeyZRUUJLVXQJKMEW-UHFFFAOYSA-N
XLogP4.82
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328570) is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.
What is the InChIKey of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is ZRUUJLVXQJKMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38).
What are the key properties of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 534.61 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).