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

C27H27N9O3S — CID 165133048

IUPACtrans-(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
SMILESCc1csc([C@@H]2C[C@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1
InChIInChI=1S/C27H27N9O3S/c1-14-12-40-26(31-14)19-6-18(19)25(38)33-22-7-21(29-13-30-22)28-8-17-10-35-9-16(15-3-4-15)5-20(24(35)32-17)36-11-23(37)34(2)27(36)39/h5,7,9-10,12-13,15,18-19H,3-4,6,8,11H2,1-2H3,(H2,28,29,30,33,38)/t18-,19-/m1/s1
InChIKeyROFZKIGBSCPRBT-RTBURBONSA-N
MW557.64 g/mol
LogP3.52
Rot. Bonds8

About 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

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 (PubChem CID 165133048) has the molecular formula C27H27N9O3S and a molecular weight of 557.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrans-(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
PubChem CID165133048
Molecular FormulaC27H27N9O3S
Molecular Weight557.64 g/mol
Exact Mass557.20
IUPAC Nametrans-(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
SMILESCc1csc([C@@H]2C[C@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1
InChIInChI=1S/C27H27N9O3S/c1-14-12-40-26(31-14)19-6-18(19)25(38)33-22-7-21(29-13-30-22)28-8-17-10-35-9-16(15-3-4-15)5-20(24(35)32-17)36-11-23(37)34(2)27(36)39/h5,7,9-10,12-13,15,18-19H,3-4,6,8,11H2,1-2H3,(H2,28,29,30,33,38)/t18-,19-/m1/s1
InChIKeyROFZKIGBSCPRBT-RTBURBONSA-N
XLogP3.52
TPSA137.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.64
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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]cyclopropanecarboxamide;5-fluoro-2-methylpyridine
CID 165132604
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133320
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-(fluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 170774569
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-(difluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 170774641
trans-(1S,2S)-N-[4-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-6-methylpyrimidin-2-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171473375
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132322
trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165131711
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc([C@@H]2C[C@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1.
What is the InChIKey of 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?
The InChIKey is ROFZKIGBSCPRBT-RTBURBONSA-N. The full InChI is InChI=1S/C27H27N9O3S/c1-14-12-40-26(31-14)19-6-18(19)25(38)33-22-7-21(29-13-30-22)28-8-17-10-35-9-16(15-3-4-15)5-20(24(35)32-17)36-11-23(37)34(2)27(36)39/h5,7,9-10,12-13,15,18-19H,3-4,6,8,11H2,1-2H3,(H2,28,29,30,33,38)/t18-,19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 557.64 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165133048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).