N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide

C30H34ClN5O2 — CID 71574952

IUPACN-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide
SMILESCc1ccc2nc(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC(C)C)n2c1
InChIInChI=1S/C30H34ClN5O2/c1-20(2)32-29-28(34-27-13-4-21(3)18-36(27)29)23-5-11-26(12-6-23)38-19-22-14-16-35(17-15-22)30(37)33-25-9-7-24(31)8-10-25/h4-13,18,20,22,32H,14-17,19H2,1-3H3,(H,33,37)
InChIKeyGFELBPBQLAXXRY-UHFFFAOYSA-N
MW532.09 g/mol
LogP7.11
Rot. Bonds7

About N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide

N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide (PubChem CID 71574952) has the molecular formula C30H34ClN5O2 and a molecular weight of 532.09 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide
PubChem CID71574952
Molecular FormulaC30H34ClN5O2
Molecular Weight532.09 g/mol
Exact Mass531.24
IUPAC NameN-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide
SMILESCc1ccc2nc(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC(C)C)n2c1
InChIInChI=1S/C30H34ClN5O2/c1-20(2)32-29-28(34-27-13-4-21(3)18-36(27)29)23-5-11-26(12-6-23)38-19-22-14-16-35(17-15-22)30(37)33-25-9-7-24(31)8-10-25/h4-13,18,20,22,32H,14-17,19H2,1-3H3,(H,33,37)
InChIKeyGFELBPBQLAXXRY-UHFFFAOYSA-N
XLogP7.11
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.09
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide (CID 71574952) is N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide is Cc1ccc2nc(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC(C)C)n2c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
The InChIKey is GFELBPBQLAXXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O2/c1-20(2)32-29-28(34-27-13-4-21(3)18-36(27)29)23-5-11-26(12-6-23)38-19-22-14-16-35(17-15-22)30(37)33-25-9-7-24(31)8-10-25/h4-13,18,20,22,32H,14-17,19H2,1-3H3,(H,33,37).
What are the key properties of N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide has a molecular weight of 532.09 g/mol, XLogP of 7.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[4-[6-methyl-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71574952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).