7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C24H28N6O2 — CID 174192010

IUPAC7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCC(=O)N1CC2(CCN(c3nc4c(c(-c5cncnc5)c3C#N)COC(C)(C)C4)C2)C1
InChIInChI=1S/C24H28N6O2/c1-4-20(31)30-13-24(14-30)5-6-29(12-24)22-17(8-25)21(16-9-26-15-27-10-16)18-11-32-23(2,3)7-19(18)28-22/h9-10,15H,4-7,11-14H2,1-3H3
InChIKeyNMFGCEMUSKTBRR-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.71
Rot. Bonds3

About 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 174192010) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID174192010
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCC(=O)N1CC2(CCN(c3nc4c(c(-c5cncnc5)c3C#N)COC(C)(C)C4)C2)C1
InChIInChI=1S/C24H28N6O2/c1-4-20(31)30-13-24(14-30)5-6-29(12-24)22-17(8-25)21(16-9-26-15-27-10-16)18-11-32-23(2,3)7-19(18)28-22/h9-10,15H,4-7,11-14H2,1-3H3
InChIKeyNMFGCEMUSKTBRR-UHFFFAOYSA-N
XLogP2.71
TPSA95.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-(4-chloro-3-cyano-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 170548527
tert-butyl 7-[4-(2-amino-3-methoxy-6-methylphenyl)-3-cyano-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 170548560
4-(6-chloro-1H-indol-7-yl)-7,7-dimethyl-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 170925755
2-[2-[(E)-4-hydroxybut-2-enoyl]-2,7-diazaspiro[3.4]octan-7-yl]-7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-quinoline-3-carbonitrile
CID 167037015
4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)quinoline-3-carbonitrile
CID 174191978
7,7-dimethyl-4-(2-methylpropyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23800095
6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 910170
4-(1,6-dimethylindazol-7-yl)-7-methyl-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 167037728
N-[4-[3-cyano-6,6-dimethyl-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-5,7-dihydrocyclopenta[b]pyridin-4-yl]naphthalen-2-yl]methanesulfonamide
CID 167037552
2-[2-[(E)-3-methoxyprop-2-enoyl]-2,7-diazaspiro[3.4]octan-7-yl]-7,7-dimethyl-4-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-4-yl)-6,8-dihydro-5H-quinoline-3-carbonitrile
CID 171362939
2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23855171
4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol
CID 167037892

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 174192010) is 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CCC(=O)N1CC2(CCN(c3nc4c(c(-c5cncnc5)c3C#N)COC(C)(C)C4)C2)C1.
What is the InChIKey of 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is NMFGCEMUSKTBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-20(31)30-13-24(14-30)5-6-29(12-24)22-17(8-25)21(16-9-26-15-27-10-16)18-11-32-23(2,3)7-19(18)28-22/h9-10,15H,4-7,11-14H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 432.53 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-propanoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-pyrimidin-5-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 174192010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).