[(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

C27H32N4O — CID 110141583

IUPAC[(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccn2cc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4C)nc12
InChIInChI=1S/C27H32N4O/c1-18-9-8-14-30-17-20(28-25(18)30)26(32)31-21(15-19-10-5-4-6-11-19)22-16-27(2)23(29(22)3)12-7-13-24(27)31/h4-6,8-11,14,17,21-24H,7,12-13,15-16H2,1-3H3/t21-,22+,23+,24-,27+/m1/s1
InChIKeyDSTGIHIBOXJIIQ-PFGYYQCGSA-N
MW428.58 g/mol
LogP4.34
Rot. Bonds3

About [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 110141583) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID110141583
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name[(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccn2cc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4C)nc12
InChIInChI=1S/C27H32N4O/c1-18-9-8-14-30-17-20(28-25(18)30)26(32)31-21(15-19-10-5-4-6-11-19)22-16-27(2)23(29(22)3)12-7-13-24(27)31/h4-6,8-11,14,17,21-24H,7,12-13,15-16H2,1-3H3/t21-,22+,23+,24-,27+/m1/s1
InChIKeyDSTGIHIBOXJIIQ-PFGYYQCGSA-N
XLogP4.34
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone with MolForge

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Related Compounds

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Imidazopyridine 18d
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N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
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CID 44137901
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CID 44431994

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 110141583) is [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccn2cc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4C)nc12.
What is the InChIKey of [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is DSTGIHIBOXJIIQ-PFGYYQCGSA-N. The full InChI is InChI=1S/C27H32N4O/c1-18-9-8-14-30-17-20(28-25(18)30)26(32)31-21(15-19-10-5-4-6-11-19)22-16-27(2)23(29(22)3)12-7-13-24(27)31/h4-6,8-11,14,17,21-24H,7,12-13,15-16H2,1-3H3/t21-,22+,23+,24-,27+/m1/s1.
What are the key properties of [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 428.58 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R,8S,9S)-2-benzyl-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 110141583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).