N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C30H30N8O5 — CID 171758586

IUPACN-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CC2c2nccc(C)n2)nc(OCc2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)c1
InChIInChI=1S/C30H30N8O5/c1-16-6-7-31-27(32-16)21-11-22(21)29(40)35-24-9-20(42-3)10-25(34-24)43-15-19-13-37-12-18(17-4-5-17)8-23(28(37)33-19)38-14-26(39)36(2)30(38)41/h6-10,12-13,17,21-22H,4-5,11,14-15H2,1-3H3,(H,34,35,40)
InChIKeyJUFQITRLFSMZLR-UHFFFAOYSA-N
MW582.62 g/mol
LogP3.43
Rot. Bonds9

About N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758586) has the molecular formula C30H30N8O5 and a molecular weight of 582.62 g/mol. Its IUPAC name is N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID171758586
Molecular FormulaC30H30N8O5
Molecular Weight582.62 g/mol
Exact Mass582.23
IUPAC NameN-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CC2c2nccc(C)n2)nc(OCc2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)c1
InChIInChI=1S/C30H30N8O5/c1-16-6-7-31-27(32-16)21-11-22(21)29(40)35-24-9-20(42-3)10-25(34-24)43-15-19-13-37-12-18(17-4-5-17)8-23(28(37)33-19)38-14-26(39)36(2)30(38)41/h6-10,12-13,17,21-22H,4-5,11,14-15H2,1-3H3,(H,34,35,40)
InChIKeyJUFQITRLFSMZLR-UHFFFAOYSA-N
XLogP3.43
TPSA144.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758586) is N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is COc1cc(NC(=O)C2CC2c2nccc(C)n2)nc(OCc2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)c1.
What is the InChIKey of N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is JUFQITRLFSMZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O5/c1-16-6-7-31-27(32-16)21-11-22(21)29(40)35-24-9-20(42-3)10-25(34-24)43-15-19-13-37-12-18(17-4-5-17)8-23(28(37)33-19)38-14-26(39)36(2)30(38)41/h6-10,12-13,17,21-22H,4-5,11,14-15H2,1-3H3,(H,34,35,40).
What are the key properties of N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 582.62 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-4-methoxy-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).