4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile

C22H23N7 — CID 167233268

IUPAC4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile
SMILESCN1CCC2(CCN(c3nc(-c4ccncc4)nc4c(C#N)nccc34)CC2)C1
InChIInChI=1S/C22H23N7/c1-28-11-5-22(15-28)6-12-29(13-7-22)21-17-4-10-25-18(14-23)19(17)26-20(27-21)16-2-8-24-9-3-16/h2-4,8-10H,5-7,11-13,15H2,1H3
InChIKeyCFGNMUUWGNACNS-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.88
Rot. Bonds2

About 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile

4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile (PubChem CID 167233268) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile
PubChem CID167233268
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile
SMILESCN1CCC2(CCN(c3nc(-c4ccncc4)nc4c(C#N)nccc34)CC2)C1
InChIInChI=1S/C22H23N7/c1-28-11-5-22(15-28)6-12-29(13-7-22)21-17-4-10-25-18(14-23)19(17)26-20(27-21)16-2-8-24-9-3-16/h2-4,8-10H,5-7,11-13,15H2,1H3
InChIKeyCFGNMUUWGNACNS-UHFFFAOYSA-N
XLogP2.88
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile?
The IUPAC name of 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile (CID 167233268) is 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile.
What is the SMILES notation for 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile?
The canonical SMILES for 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile is CN1CCC2(CCN(c3nc(-c4ccncc4)nc4c(C#N)nccc34)CC2)C1.
What is the InChIKey of 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile?
The InChIKey is CFGNMUUWGNACNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-28-11-5-22(15-28)6-12-29(13-7-22)21-17-4-10-25-18(14-23)19(17)26-20(27-21)16-2-8-24-9-3-16/h2-4,8-10H,5-7,11-13,15H2,1H3.
What are the key properties of 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile?
4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile has a molecular weight of 385.48 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile is sourced from PubChem (CID 167233268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).