(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one

C25H28N4O2 — CID 171682088

IUPAC(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccn4cncc34)C2)C1)c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-19(20-7-3-2-4-8-20)23(30)28-14-11-25(17-28)10-6-13-27(16-25)24(31)21-9-5-12-29-18-26-15-22(21)29/h2-5,7-9,12,15,18-19H,6,10-11,13-14,16-17H2,1H3/t19-,25?/m1/s1
InChIKeyJDPZDGZYBUTNTN-OEPVSBQMSA-N
MW416.53 g/mol
LogP3.59
Rot. Bonds3

About (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one

(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one (PubChem CID 171682088) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one
PubChem CID171682088
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccn4cncc34)C2)C1)c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-19(20-7-3-2-4-8-20)23(30)28-14-11-25(17-28)10-6-13-27(16-25)24(31)21-9-5-12-29-18-26-15-22(21)29/h2-5,7-9,12,15,18-19H,6,10-11,13-14,16-17H2,1H3/t19-,25?/m1/s1
InChIKeyJDPZDGZYBUTNTN-OEPVSBQMSA-N
XLogP3.59
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 104920427
(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 125159084
1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97407738
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
CID 125167277
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one
CID 146098801
6-azaspiro[3.4]octan-6-yl-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 100903578
N-[(3S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 171627868
(2S)-2-phenyl-1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]propan-1-one
CID 134789678
1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one
CID 166247239

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one (CID 171682088) is (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one is C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccn4cncc34)C2)C1)c1ccccc1.
What is the InChIKey of (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one?
The InChIKey is JDPZDGZYBUTNTN-OEPVSBQMSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19(20-7-3-2-4-8-20)23(30)28-14-11-25(17-28)10-6-13-27(16-25)24(31)21-9-5-12-29-18-26-15-22(21)29/h2-5,7-9,12,15,18-19H,6,10-11,13-14,16-17H2,1H3/t19-,25?/m1/s1.
What are the key properties of (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one?
(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one has a molecular weight of 416.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 171682088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).