6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile

C19H23N4OP3 — CID 170265754

IUPAC6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(C)(C)COc1ccc(-c2ccc3c(C#N)nc(C(P)(P)P)n3c2)cn1
InChIInChI=1S/C19H23N4OP3/c1-18(2,3)11-24-16-7-5-12(9-21-16)13-4-6-15-14(8-20)22-17(19(25,26)27)23(15)10-13/h4-7,9-10H,11,25-27H2,1-3H3
InChIKeySYGNEWQXPHAVFA-UHFFFAOYSA-N
MW416.34 g/mol
LogP4.43
Rot. Bonds4

About 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile

6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 170265754) has the molecular formula C19H23N4OP3 and a molecular weight of 416.34 g/mol. Its IUPAC name is 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID170265754
Molecular FormulaC19H23N4OP3
Molecular Weight416.34 g/mol
Exact Mass416.11
IUPAC Name6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(C)(C)COc1ccc(-c2ccc3c(C#N)nc(C(P)(P)P)n3c2)cn1
InChIInChI=1S/C19H23N4OP3/c1-18(2,3)11-24-16-7-5-12(9-21-16)13-4-6-15-14(8-20)22-17(19(25,26)27)23(15)10-13/h4-7,9-10H,11,25-27H2,1-3H3
InChIKeySYGNEWQXPHAVFA-UHFFFAOYSA-N
XLogP4.43
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265968
6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362296
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362297
6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265555
3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157183481
3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 134560299
2-(2,2-dimethylpropoxy)-5-(2,2-dimethylpropyl)pyridine
CID 177282549
[6-(2,2-dimethylpropoxy)-3-pyridinyl]boronic acid
CID 57460911
3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine
CID 161247738
6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
CID 157021835
5,6-dibromo-1-methyl-2-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]benzimidazole
CID 170775648

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile (CID 170265754) is 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile is CC(C)(C)COc1ccc(-c2ccc3c(C#N)nc(C(P)(P)P)n3c2)cn1.
What is the InChIKey of 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is SYGNEWQXPHAVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N4OP3/c1-18(2,3)11-24-16-7-5-12(9-21-16)13-4-6-15-14(8-20)22-17(19(25,26)27)23(15)10-13/h4-7,9-10H,11,25-27H2,1-3H3.
What are the key properties of 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 416.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 170265754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).