2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide

C23H26N6O5 — CID 165131757

IUPAC2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide
SMILESCOc1cc(NC=O)nc(OCc2cn3cc(C4CC4)cc(N(C=O)CC(=O)N(C)C)c3n2)c1
InChIInChI=1S/C23H26N6O5/c1-27(2)22(32)11-29(14-31)19-6-16(15-4-5-15)9-28-10-17(25-23(19)28)12-34-21-8-18(33-3)7-20(26-21)24-13-30/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,26,30)
InChIKeyCDJZRHIXAQEJBK-UHFFFAOYSA-N
MW466.50 g/mol
LogP1.81
Rot. Bonds11

About 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide

2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide (PubChem CID 165131757) has the molecular formula C23H26N6O5 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide
PubChem CID165131757
Molecular FormulaC23H26N6O5
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide
SMILESCOc1cc(NC=O)nc(OCc2cn3cc(C4CC4)cc(N(C=O)CC(=O)N(C)C)c3n2)c1
InChIInChI=1S/C23H26N6O5/c1-27(2)22(32)11-29(14-31)19-6-16(15-4-5-15)9-28-10-17(25-23(19)28)12-34-21-8-18(33-3)7-20(26-21)24-13-30/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,26,30)
InChIKeyCDJZRHIXAQEJBK-UHFFFAOYSA-N
XLogP1.81
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide (CID 165131757) is 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide is COc1cc(NC=O)nc(OCc2cn3cc(C4CC4)cc(N(C=O)CC(=O)N(C)C)c3n2)c1.
What is the InChIKey of 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide?
The InChIKey is CDJZRHIXAQEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5/c1-27(2)22(32)11-29(14-31)19-6-16(15-4-5-15)9-28-10-17(25-23(19)28)12-34-21-8-18(33-3)7-20(26-21)24-13-30/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,26,30).
What are the key properties of 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide?
2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide has a molecular weight of 466.50 g/mol, XLogP of 1.81, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-cyclopropyl-2-[(6-formamido-4-methoxy-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyridin-8-yl]-formylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 165131757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).