(5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one

C16H14N6O — CID 136896335

IUPAC(5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
SMILESO=C1NC(c2ccccn2)=NN[C@@]12CC(c1ccccc1)=NN2
InChIInChI=1S/C16H14N6O/c23-15-16(10-13(19-21-16)11-6-2-1-3-7-11)22-20-14(18-15)12-8-4-5-9-17-12/h1-9,21-22H,10H2,(H,18,20,23)/t16-/m0/s1
InChIKeyZYQKKWDOUSOTHB-INIZCTEOSA-N
MW306.33 g/mol
LogP0.56
Rot. Bonds2

About (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one

(5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one (PubChem CID 136896335) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one.

Molecular Properties

Compound Name(5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
PubChem CID136896335
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name(5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
SMILESO=C1NC(c2ccccn2)=NN[C@@]12CC(c1ccccc1)=NN2
InChIInChI=1S/C16H14N6O/c23-15-16(10-13(19-21-16)11-6-2-1-3-7-11)22-20-14(18-15)12-8-4-5-9-17-12/h1-9,21-22H,10H2,(H,18,20,23)/t16-/m0/s1
InChIKeyZYQKKWDOUSOTHB-INIZCTEOSA-N
XLogP0.56
TPSA90.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-3-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one
CID 59592020
hydrazine;2-phenylpyridine
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4,4-dibromo-2-pyridin-2-yl-3H-pyridine;iridium;bis(2-phenylpyridine)
CID 175429932
4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
CID 106953112
formyl chloride;2-phenylpyridine
CID 175066008
2-phenylpyridine;propan-2-one
CID 174845023
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[(2S)-3-phenyl-2H-azirin-2-yl]pyridine
CID 164668686
CID 24766963
CID 24766963
4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one
CID 82410928
5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one
CID 15586394
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 153197016

Frequently Asked Questions

What is the IUPAC name of (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
The IUPAC name of (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one (CID 136896335) is (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one.
What is the SMILES notation for (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
The canonical SMILES for (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one is O=C1NC(c2ccccn2)=NN[C@@]12CC(c1ccccc1)=NN2.
What is the InChIKey of (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
The InChIKey is ZYQKKWDOUSOTHB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14N6O/c23-15-16(10-13(19-21-16)11-6-2-1-3-7-11)22-20-14(18-15)12-8-4-5-9-17-12/h1-9,21-22H,10H2,(H,18,20,23)/t16-/m0/s1.
What are the key properties of (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
(5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one has a molecular weight of 306.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one is sourced from PubChem (CID 136896335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).