N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide

C20H22N8O3 — CID 165132973

IUPACN-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide
SMILESCCc1cc(N2CC(=O)N(C)C2=O)c2nc([C@@H](C)Nc3cc(NC=O)ncn3)cn2c1
InChIInChI=1S/C20H22N8O3/c1-4-13-5-15(28-9-18(30)26(3)20(28)31)19-25-14(8-27(19)7-13)12(2)24-17-6-16(23-11-29)21-10-22-17/h5-8,10-12H,4,9H2,1-3H3,(H2,21,22,23,24,29)/t12-/m1/s1
InChIKeyCDEVWVDIKJMRBB-GFCCVEGCSA-N
MW422.45 g/mol
LogP1.83
Rot. Bonds7

About N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide

N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide (PubChem CID 165132973) has the molecular formula C20H22N8O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide.

Molecular Properties

Compound NameN-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide
PubChem CID165132973
Molecular FormulaC20H22N8O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide
SMILESCCc1cc(N2CC(=O)N(C)C2=O)c2nc([C@@H](C)Nc3cc(NC=O)ncn3)cn2c1
InChIInChI=1S/C20H22N8O3/c1-4-13-5-15(28-9-18(30)26(3)20(28)31)19-25-14(8-27(19)7-13)12(2)24-17-6-16(23-11-29)21-10-22-17/h5-8,10-12H,4,9H2,1-3H3,(H2,21,22,23,24,29)/t12-/m1/s1
InChIKeyCDEVWVDIKJMRBB-GFCCVEGCSA-N
XLogP1.83
TPSA124.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide?
The IUPAC name of N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide (CID 165132973) is N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide.
What is the SMILES notation for N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide?
The canonical SMILES for N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide is CCc1cc(N2CC(=O)N(C)C2=O)c2nc([C@@H](C)Nc3cc(NC=O)ncn3)cn2c1.
What is the InChIKey of N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide?
The InChIKey is CDEVWVDIKJMRBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22N8O3/c1-4-13-5-15(28-9-18(30)26(3)20(28)31)19-25-14(8-27(19)7-13)12(2)24-17-6-16(23-11-29)21-10-22-17/h5-8,10-12H,4,9H2,1-3H3,(H2,21,22,23,24,29)/t12-/m1/s1.
What are the key properties of N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide?
N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide has a molecular weight of 422.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]formamide is sourced from PubChem (CID 165132973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).