2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide

C27H26ClN5O2 — CID 175507806

IUPAC2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1cc(NCc2cn3cc(C4CC4)ccc3n2)cc(NC(=O)C2CC2c2cccc(Cl)c2)n1
InChIInChI=1S/C27H26ClN5O2/c1-35-26-11-20(29-13-21-15-33-14-18(16-5-6-16)7-8-25(33)30-21)10-24(31-26)32-27(34)23-12-22(23)17-3-2-4-19(28)9-17/h2-4,7-11,14-16,22-23H,5-6,12-13H2,1H3,(H2,29,31,32,34)
InChIKeyLWBWIPGFSNZWBB-UHFFFAOYSA-N
MW487.99 g/mol
LogP5.62
Rot. Bonds8

About 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 175507806) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID175507806
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC Name2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1cc(NCc2cn3cc(C4CC4)ccc3n2)cc(NC(=O)C2CC2c2cccc(Cl)c2)n1
InChIInChI=1S/C27H26ClN5O2/c1-35-26-11-20(29-13-21-15-33-14-18(16-5-6-16)7-8-25(33)30-21)10-24(31-26)32-27(34)23-12-22(23)17-3-2-4-19(28)9-17/h2-4,7-11,14-16,22-23H,5-6,12-13H2,1H3,(H2,29,31,32,34)
InChIKeyLWBWIPGFSNZWBB-UHFFFAOYSA-N
XLogP5.62
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide (CID 175507806) is 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide is COc1cc(NCc2cn3cc(C4CC4)ccc3n2)cc(NC(=O)C2CC2c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is LWBWIPGFSNZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c1-35-26-11-20(29-13-21-15-33-14-18(16-5-6-16)7-8-25(33)30-21)10-24(31-26)32-27(34)23-12-22(23)17-3-2-4-19(28)9-17/h2-4,7-11,14-16,22-23H,5-6,12-13H2,1H3,(H2,29,31,32,34).
What are the key properties of 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 487.99 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175507806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).