N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C23H23ClN4O3 — CID 150640891

IUPACN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccc(-c2c(C(=O)N[C@H]3COc4ccc(Cl)cc4C3)nc3n2CCCC3)n1
InChIInChI=1S/C23H23ClN4O3/c1-30-20-7-4-5-17(26-20)22-21(27-19-6-2-3-10-28(19)22)23(29)25-16-12-14-11-15(24)8-9-18(14)31-13-16/h4-5,7-9,11,16H,2-3,6,10,12-13H2,1H3,(H,25,29)/t16-/m1/s1
InChIKeyIZWKSLRDJZZUBF-MRXNPFEDSA-N
MW438.92 g/mol
LogP3.68
Rot. Bonds4

About N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 150640891) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID150640891
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccc(-c2c(C(=O)N[C@H]3COc4ccc(Cl)cc4C3)nc3n2CCCC3)n1
InChIInChI=1S/C23H23ClN4O3/c1-30-20-7-4-5-17(26-20)22-21(27-19-6-2-3-10-28(19)22)23(29)25-16-12-14-11-15(24)8-9-18(14)31-13-16/h4-5,7-9,11,16H,2-3,6,10,12-13H2,1H3,(H,25,29)/t16-/m1/s1
InChIKeyIZWKSLRDJZZUBF-MRXNPFEDSA-N
XLogP3.68
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

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2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
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N-[2-(4-chlorophenoxy)ethyl]-2,6-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 134134535
{4-[5-Chloro-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-A][1,3]benzimidazol-3-YL}(morpholino)methanone
CID 45106018
N-[2-(4-chlorophenoxy)ethyl]-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 134139023
N-[2-(4-chlorophenoxy)ethyl]-6-methyl-2-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 155548717
US12421225, Example 15
CID 149846584
US12421225, Example 38
CID 150005179
US12421225, Example 46
CID 151283726

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 150640891) is N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is COc1cccc(-c2c(C(=O)N[C@H]3COc4ccc(Cl)cc4C3)nc3n2CCCC3)n1.
What is the InChIKey of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is IZWKSLRDJZZUBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-30-20-7-4-5-17(26-20)22-21(27-19-6-2-3-10-28(19)22)23(29)25-16-12-14-11-15(24)8-9-18(14)31-13-16/h4-5,7-9,11,16H,2-3,6,10,12-13H2,1H3,(H,25,29)/t16-/m1/s1.
What are the key properties of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-3-(6-methoxy-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 150640891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).