N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C28H26ClN7O2 — CID 171678131

IUPACN-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(c2ccc(NC(=O)c3cn4cccnc4n3)cc2)CC1
InChIInChI=1S/C28H26ClN7O2/c1-2-22-25(36-16-20(29)6-9-24(36)32-22)27(38)34-14-10-19(11-15-34)18-4-7-21(8-5-18)31-26(37)23-17-35-13-3-12-30-28(35)33-23/h3-9,12-13,16-17,19H,2,10-11,14-15H2,1H3,(H,31,37)
InChIKeyZJMCAVPCYCYTCD-UHFFFAOYSA-N
MW528.02 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 171678131) has the molecular formula C28H26ClN7O2 and a molecular weight of 528.02 g/mol. Its IUPAC name is N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID171678131
Molecular FormulaC28H26ClN7O2
Molecular Weight528.02 g/mol
Exact Mass527.18
IUPAC NameN-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(c2ccc(NC(=O)c3cn4cccnc4n3)cc2)CC1
InChIInChI=1S/C28H26ClN7O2/c1-2-22-25(36-16-20(29)6-9-24(36)32-22)27(38)34-14-10-19(11-15-34)18-4-7-21(8-5-18)31-26(37)23-17-35-13-3-12-30-28(35)33-23/h3-9,12-13,16-17,19H,2,10-11,14-15H2,1H3,(H,31,37)
InChIKeyZJMCAVPCYCYTCD-UHFFFAOYSA-N
XLogP4.86
TPSA96.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.02
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 171678131) is N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(c2ccc(NC(=O)c3cn4cccnc4n3)cc2)CC1.
What is the InChIKey of N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is ZJMCAVPCYCYTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN7O2/c1-2-22-25(36-16-20(29)6-9-24(36)32-22)27(38)34-14-10-19(11-15-34)18-4-7-21(8-5-18)31-26(37)23-17-35-13-3-12-30-28(35)33-23/h3-9,12-13,16-17,19H,2,10-11,14-15H2,1H3,(H,31,37).
What are the key properties of N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 528.02 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 171678131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).