N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide

C26H36N8O2 — CID 171990740

IUPACN-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCOc1cnc(N2CC(C)N(C)[C@H](C)C2)nc1N1CC(C(=O)NC(C)(C)c2cnc3ccccn23)C1
InChIInChI=1S/C26H36N8O2/c1-17-13-33(14-18(2)31(17)5)25-28-11-20(36-6)23(29-25)32-15-19(16-32)24(35)30-26(3,4)21-12-27-22-9-7-8-10-34(21)22/h7-12,17-19H,13-16H2,1-6H3,(H,30,35)/t17-,18?/m1/s1
InChIKeyUMCZNZVMKSKTAH-QNSVNVJESA-N
MW492.63 g/mol
LogP2.15
Rot. Bonds6

About N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide

N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 171990740) has the molecular formula C26H36N8O2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID171990740
Molecular FormulaC26H36N8O2
Molecular Weight492.63 g/mol
Exact Mass492.30
IUPAC NameN-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCOc1cnc(N2CC(C)N(C)[C@H](C)C2)nc1N1CC(C(=O)NC(C)(C)c2cnc3ccccn23)C1
InChIInChI=1S/C26H36N8O2/c1-17-13-33(14-18(2)31(17)5)25-28-11-20(36-6)23(29-25)32-15-19(16-32)24(35)30-26(3,4)21-12-27-22-9-7-8-10-34(21)22/h7-12,17-19H,13-16H2,1-6H3,(H,30,35)/t17-,18?/m1/s1
InChIKeyUMCZNZVMKSKTAH-QNSVNVJESA-N
XLogP2.15
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide (CID 171990740) is N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide is COc1cnc(N2CC(C)N(C)[C@H](C)C2)nc1N1CC(C(=O)NC(C)(C)c2cnc3ccccn23)C1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is UMCZNZVMKSKTAH-QNSVNVJESA-N. The full InChI is InChI=1S/C26H36N8O2/c1-17-13-33(14-18(2)31(17)5)25-28-11-20(36-6)23(29-25)32-15-19(16-32)24(35)30-26(3,4)21-12-27-22-9-7-8-10-34(21)22/h7-12,17-19H,13-16H2,1-6H3,(H,30,35)/t17-,18?/m1/s1.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide?
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 171990740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).