1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one

C19H20ClN7O — CID 165131478

IUPAC1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cc(C3CC3)cn3cc(CNc4cc(Cl)ncn4)nc23)C1=O
InChIInChI=1S/C19H20ClN7O/c1-25-4-5-27(19(25)28)15-6-13(12-2-3-12)9-26-10-14(24-18(15)26)8-21-17-7-16(20)22-11-23-17/h6-7,9-12H,2-5,8H2,1H3,(H,21,22,23)
InChIKeyLJZIMYBHHAZWOM-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one

1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one (PubChem CID 165131478) has the molecular formula C19H20ClN7O and a molecular weight of 397.87 g/mol. Its IUPAC name is 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one
PubChem CID165131478
Molecular FormulaC19H20ClN7O
Molecular Weight397.87 g/mol
Exact Mass397.14
IUPAC Name1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cc(C3CC3)cn3cc(CNc4cc(Cl)ncn4)nc23)C1=O
InChIInChI=1S/C19H20ClN7O/c1-25-4-5-27(19(25)28)15-6-13(12-2-3-12)9-26-10-14(24-18(15)26)8-21-17-7-16(20)22-11-23-17/h6-7,9-12H,2-5,8H2,1H3,(H,21,22,23)
InChIKeyLJZIMYBHHAZWOM-UHFFFAOYSA-N
XLogP3.14
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
CID 165131798
cis-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 175616964
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-2-yl)cyclopropane-1-carboxamide
CID 170774688
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide;5-fluoro-2-methylpyridine
CID 165132604
trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(3-methyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 171473406
6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine
CID 165133238
trans-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 165133048
4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine
CID 165132606
2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774597
trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165131489
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171758742
1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131728

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one (CID 165131478) is 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cc(C3CC3)cn3cc(CNc4cc(Cl)ncn4)nc23)C1=O.
What is the InChIKey of 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one?
The InChIKey is LJZIMYBHHAZWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O/c1-25-4-5-27(19(25)28)15-6-13(12-2-3-12)9-26-10-14(24-18(15)26)8-21-17-7-16(20)22-11-23-17/h6-7,9-12H,2-5,8H2,1H3,(H,21,22,23).
What are the key properties of 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one?
1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one has a molecular weight of 397.87 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 165131478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).