trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide

C27H27ClN6OS — CID 175616719

IUPACtrans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESCSc1nc(NCc2cn3cc(C4CC4C)ccc3n2)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n1
InChIInChI=1S/C27H27ClN6OS/c1-15-8-20(15)17-6-7-25-30-19(14-34(25)13-17)12-29-23-11-24(33-27(32-23)36-2)31-26(35)22-10-21(22)16-4-3-5-18(28)9-16/h3-7,9,11,13-15,20-22H,8,10,12H2,1-2H3,(H2,29,31,32,33,35)/t15?,20?,21-,22+/m0/s1
InChIKeyWCICFXBIJSRJBI-VLBRNSPJSA-N
MW519.07 g/mol
LogP5.98
Rot. Bonds8

About trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 175616719) has the molecular formula C27H27ClN6OS and a molecular weight of 519.07 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide
PubChem CID175616719
Molecular FormulaC27H27ClN6OS
Molecular Weight519.07 g/mol
Exact Mass518.17
IUPAC Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESCSc1nc(NCc2cn3cc(C4CC4C)ccc3n2)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n1
InChIInChI=1S/C27H27ClN6OS/c1-15-8-20(15)17-6-7-25-30-19(14-34(25)13-17)12-29-23-11-24(33-27(32-23)36-2)31-26(35)22-10-21(22)16-4-3-5-18(28)9-16/h3-7,9,11,13-15,20-22H,8,10,12H2,1-2H3,(H2,29,31,32,33,35)/t15?,20?,21-,22+/m0/s1
InChIKeyWCICFXBIJSRJBI-VLBRNSPJSA-N
XLogP5.98
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.07
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide (CID 175616719) is trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide is CSc1nc(NCc2cn3cc(C4CC4C)ccc3n2)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n1.
What is the InChIKey of trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is WCICFXBIJSRJBI-VLBRNSPJSA-N. The full InChI is InChI=1S/C27H27ClN6OS/c1-15-8-20(15)17-6-7-25-30-19(14-34(25)13-17)12-29-23-11-24(33-27(32-23)36-2)31-26(35)22-10-21(22)16-4-3-5-18(28)9-16/h3-7,9,11,13-15,20-22H,8,10,12H2,1-2H3,(H2,29,31,32,33,35)/t15?,20?,21-,22+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 519.07 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175616719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).