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

C27H28F2N6O2 — CID 134328467

IUPACN-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide
SMILESCOc1cc2ncc(-n3cc(Cc4ccc(F)c(C(=O)NC5CC5)c4)cn3)n2cc1C1(F)CCNCC1
InChIInChI=1S/C27H28F2N6O2/c1-37-23-12-24-31-14-25(34(24)16-21(23)27(29)6-8-30-9-7-27)35-15-18(13-32-35)10-17-2-5-22(28)20(11-17)26(36)33-19-3-4-19/h2,5,11-16,19,30H,3-4,6-10H2,1H3,(H,33,36)
InChIKeyCJBMBTSGPSDELC-UHFFFAOYSA-N
MW506.56 g/mol
LogP3.70
Rot. Bonds7

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

N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide (PubChem CID 134328467) has the molecular formula C27H28F2N6O2 and a molecular weight of 506.56 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide
PubChem CID134328467
Molecular FormulaC27H28F2N6O2
Molecular Weight506.56 g/mol
Exact Mass506.22
IUPAC NameN-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide
SMILESCOc1cc2ncc(-n3cc(Cc4ccc(F)c(C(=O)NC5CC5)c4)cn3)n2cc1C1(F)CCNCC1
InChIInChI=1S/C27H28F2N6O2/c1-37-23-12-24-31-14-25(34(24)16-21(23)27(29)6-8-30-9-7-27)35-15-18(13-32-35)10-17-2-5-22(28)20(11-17)26(36)33-19-3-4-19/h2,5,11-16,19,30H,3-4,6-10H2,1H3,(H,33,36)
InChIKeyCJBMBTSGPSDELC-UHFFFAOYSA-N
XLogP3.70
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.70
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-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide (CID 134328467) is N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide is COc1cc2ncc(-n3cc(Cc4ccc(F)c(C(=O)NC5CC5)c4)cn3)n2cc1C1(F)CCNCC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide?
The InChIKey is CJBMBTSGPSDELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2/c1-37-23-12-24-31-14-25(34(24)16-21(23)27(29)6-8-30-9-7-27)35-15-18(13-32-35)10-17-2-5-22(28)20(11-17)26(36)33-19-3-4-19/h2,5,11-16,19,30H,3-4,6-10H2,1H3,(H,33,36).
What are the key properties of N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide?
N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide has a molecular weight of 506.56 g/mol, XLogP of 3.70, 7 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-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 134328467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).