N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C23H21ClN6O3 — CID 51034594

IUPACN-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Cl
InChIInChI=1S/C23H21ClN6O3/c1-28-21(16(12-25-28)23(32)29-7-9-33-10-8-29)22(31)27-18-11-20-26-19(14-30(20)13-17(18)24)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H,27,31)
InChIKeyRAKKBWAMSZBQGD-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.11
Rot. Bonds4

About N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 51034594) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID51034594
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC NameN-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Cl
InChIInChI=1S/C23H21ClN6O3/c1-28-21(16(12-25-28)23(32)29-7-9-33-10-8-29)22(31)27-18-11-20-26-19(14-30(20)13-17(18)24)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H,27,31)
InChIKeyRAKKBWAMSZBQGD-UHFFFAOYSA-N
XLogP3.11
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 51034594) is N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Cl.
What is the InChIKey of N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is RAKKBWAMSZBQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-28-21(16(12-25-28)23(32)29-7-9-33-10-8-29)22(31)27-18-11-20-26-19(14-30(20)13-17(18)24)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H,27,31).
What are the key properties of N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 51034594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).