cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide

C18H16Cl2N4O — CID 97073116

IUPACcis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccn2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)nc2n1
InChIInChI=1S/C18H16Cl2N4O/c1-10-4-5-24-9-12(23-18(24)22-10)8-21-17(25)14-7-13(14)11-2-3-15(19)16(20)6-11/h2-6,9,13-14H,7-8H2,1H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyVZKYSJNNSJMERI-ZIAGYGMSSA-N
MW375.26 g/mol
LogP3.76
Rot. Bonds4

About cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 97073116) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID97073116
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Namecis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccn2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)nc2n1
InChIInChI=1S/C18H16Cl2N4O/c1-10-4-5-24-9-12(23-18(24)22-10)8-21-17(25)14-7-13(14)11-2-3-15(19)16(20)6-11/h2-6,9,13-14H,7-8H2,1H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyVZKYSJNNSJMERI-ZIAGYGMSSA-N
XLogP3.76
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 95279473
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
CID 111480579
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154798415
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 86903374
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide (CID 97073116) is cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide is Cc1ccn2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)nc2n1.
What is the InChIKey of cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VZKYSJNNSJMERI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-10-4-5-24-9-12(23-18(24)22-10)8-21-17(25)14-7-13(14)11-2-3-15(19)16(20)6-11/h2-6,9,13-14H,7-8H2,1H3,(H,21,25)/t13-,14-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97073116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).