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

C28H30F2N6O2 — CID 134328579

IUPACN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-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)CCNCC1
InChIInChI=1S/C28H30F2N6O2/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19/h10-16,19,31H,3-9H2,1-2H3,(H,34,37)
InChIKeyXGBHKXDLAUQEOJ-UHFFFAOYSA-N
MW520.58 g/mol
LogP4.47
Rot. Bonds7

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

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328579) has the molecular formula C28H30F2N6O2 and a molecular weight of 520.58 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-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-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134328579
Molecular FormulaC28H30F2N6O2
Molecular Weight520.58 g/mol
Exact Mass520.24
IUPAC NameN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-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)CCNCC1
InChIInChI=1S/C28H30F2N6O2/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19/h10-16,19,31H,3-9H2,1-2H3,(H,34,37)
InChIKeyXGBHKXDLAUQEOJ-UHFFFAOYSA-N
XLogP4.47
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 78320750
CID 78320750
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CID 90176196
CID 90176196
CID 71735440
CID 71735440
CID 71737355
CID 71737355
CID 118452766
CID 118452766
CID 149503094
CID 149503094
CID 153572459
CID 153572459
CID 134328409
CID 134328409
CID 156015586
CID 156015586
CID 168276711
CID 168276711
CID 168277456
CID 168277456

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-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-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328579) is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-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-fluoropiperidin-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-fluoropiperidin-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)CCNCC1.
What is the InChIKey of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is XGBHKXDLAUQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O2/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19/h10-16,19,31H,3-9H2,1-2H3,(H,34,37).
What are the key properties of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 520.58 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 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-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).