(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one

C18H29N5O2 — CID 120965772

IUPAC(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
SMILESCC(C)c1nccn1CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C
InChIInChI=1S/C18H29N5O2/c1-12(2)17-19-7-10-21(17)9-6-16(24)22-8-5-15-14(11-22)20-18(25)23(15)13(3)4/h7,10,12-15H,5-6,8-9,11H2,1-4H3,(H,20,25)/t14-,15+/m1/s1
InChIKeyXPYZAMWZDAWZCO-CABCVRRESA-N
MW347.46 g/mol
LogP1.80
Rot. Bonds5

About (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one

(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one (PubChem CID 120965772) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
PubChem CID120965772
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
SMILESCC(C)c1nccn1CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C
InChIInChI=1S/C18H29N5O2/c1-12(2)17-19-7-10-21(17)9-6-16(24)22-8-5-15-14(11-22)20-18(25)23(15)13(3)4/h7,10,12-15H,5-6,8-9,11H2,1-4H3,(H,20,25)/t14-,15+/m1/s1
InChIKeyXPYZAMWZDAWZCO-CABCVRRESA-N
XLogP1.80
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

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1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
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3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one
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1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 124569451
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
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3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
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CID 90560987
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125008602
2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide
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3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
CID 95797657
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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The IUPAC name of (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one (CID 120965772) is (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one is CC(C)c1nccn1CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C.
What is the InChIKey of (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The InChIKey is XPYZAMWZDAWZCO-CABCVRRESA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(2)17-19-7-10-21(17)9-6-16(24)22-8-5-15-14(11-22)20-18(25)23(15)13(3)4/h7,10,12-15H,5-6,8-9,11H2,1-4H3,(H,20,25)/t14-,15+/m1/s1.
What are the key properties of (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 120965772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).