N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide

C22H23N9O3 — CID 175616978

IUPACN-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide
SMILESCN(Cc1cn2cc(C3CC3)cc(N3CC(=O)NC3=O)c2n1)c1nc(NC=O)nc(C2CC2)n1
InChIInChI=1S/C22H23N9O3/c1-29(21-27-18(13-4-5-13)26-20(28-21)23-11-32)8-15-9-30-7-14(12-2-3-12)6-16(19(30)24-15)31-10-17(33)25-22(31)34/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,25,33,34)(H,23,26,27,28,32)
InChIKeySAOIJKLIPCFHRM-UHFFFAOYSA-N
MW461.49 g/mol
LogP1.53
Rot. Bonds8

About N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide

N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide (PubChem CID 175616978) has the molecular formula C22H23N9O3 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide
PubChem CID175616978
Molecular FormulaC22H23N9O3
Molecular Weight461.49 g/mol
Exact Mass461.19
IUPAC NameN-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide
SMILESCN(Cc1cn2cc(C3CC3)cc(N3CC(=O)NC3=O)c2n1)c1nc(NC=O)nc(C2CC2)n1
InChIInChI=1S/C22H23N9O3/c1-29(21-27-18(13-4-5-13)26-20(28-21)23-11-32)8-15-9-30-7-14(12-2-3-12)6-16(19(30)24-15)31-10-17(33)25-22(31)34/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,25,33,34)(H,23,26,27,28,32)
InChIKeySAOIJKLIPCFHRM-UHFFFAOYSA-N
XLogP1.53
TPSA137.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide?
The IUPAC name of N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide (CID 175616978) is N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide.
What is the SMILES notation for N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide?
The canonical SMILES for N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide is CN(Cc1cn2cc(C3CC3)cc(N3CC(=O)NC3=O)c2n1)c1nc(NC=O)nc(C2CC2)n1.
What is the InChIKey of N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide?
The InChIKey is SAOIJKLIPCFHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O3/c1-29(21-27-18(13-4-5-13)26-20(28-21)23-11-32)8-15-9-30-7-14(12-2-3-12)6-16(19(30)24-15)31-10-17(33)25-22(31)34/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,25,33,34)(H,23,26,27,28,32).
What are the key properties of N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide?
N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide has a molecular weight of 461.49 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-6-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-1,3,5-triazin-2-yl]formamide is sourced from PubChem (CID 175616978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).