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

C27H27N11O3 — CID 170774688

IUPACN-[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
SMILESCc1ncnc(C2CC2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1
InChIInChI=1S/C27H27N11O3/c1-14-29-12-32-24(33-14)18-6-19(18)26(40)35-22-7-21(30-13-31-22)28-8-17-10-37-9-16(15-3-4-15)5-20(25(37)34-17)38-11-23(39)36(2)27(38)41/h5,7,9-10,12-13,15,18-19H,3-4,6,8,11H2,1-2H3,(H2,28,30,31,35,40)
InChIKeyPJAIVMDYZJNCKD-UHFFFAOYSA-N
MW553.59 g/mol
LogP2.25
Rot. Bonds8

About 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

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 (PubChem CID 170774688) has the molecular formula C27H27N11O3 and a molecular weight of 553.59 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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-2-yl)cyclopropane-1-carboxamide
PubChem CID170774688
Molecular FormulaC27H27N11O3
Molecular Weight553.59 g/mol
Exact Mass553.23
IUPAC NameN-[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
SMILESCc1ncnc(C2CC2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1
InChIInChI=1S/C27H27N11O3/c1-14-29-12-32-24(33-14)18-6-19(18)26(40)35-22-7-21(30-13-31-22)28-8-17-10-37-9-16(15-3-4-15)5-20(25(37)34-17)38-11-23(39)36(2)27(38)41/h5,7,9-10,12-13,15,18-19H,3-4,6,8,11H2,1-2H3,(H2,28,30,31,35,40)
InChIKeyPJAIVMDYZJNCKD-UHFFFAOYSA-N
XLogP2.25
TPSA163.50 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.59
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-2-yl)cyclopropane-1-carboxamide (CID 170774688) is 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.
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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-2-yl)cyclopropane-1-carboxamide is Cc1ncnc(C2CC2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1.
What is the InChIKey of 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?
The InChIKey is PJAIVMDYZJNCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N11O3/c1-14-29-12-32-24(33-14)18-6-19(18)26(40)35-22-7-21(30-13-31-22)28-8-17-10-37-9-16(15-3-4-15)5-20(25(37)34-17)38-11-23(39)36(2)27(38)41/h5,7,9-10,12-13,15,18-19H,3-4,6,8,11H2,1-2H3,(H2,28,30,31,35,40).
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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-2-yl)cyclopropane-1-carboxamide?
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 has a molecular weight of 553.59 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 11 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]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 170774688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).