3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile

C23H25N7 — CID 167233113

IUPAC3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile
SMILESN#CCCN1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1
InChIInChI=1S/C23H25N7/c24-8-1-12-29-13-5-23(17-29)6-14-30(15-7-23)22-19-4-11-26-16-20(19)27-21(28-22)18-2-9-25-10-3-18/h2-4,9-11,16H,1,5-7,12-15,17H2
InChIKeyYVLXTFYDPJMLMU-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.29
Rot. Bonds4

About 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile

3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile (PubChem CID 167233113) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile
PubChem CID167233113
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile
SMILESN#CCCN1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1
InChIInChI=1S/C23H25N7/c24-8-1-12-29-13-5-23(17-29)6-14-30(15-7-23)22-19-4-11-26-16-20(19)27-21(28-22)18-2-9-25-10-3-18/h2-4,9-11,16H,1,5-7,12-15,17H2
InChIKeyYVLXTFYDPJMLMU-UHFFFAOYSA-N
XLogP3.29
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal
CID 175988940
1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
CID 167233200
[1-hydroxy-2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl] formate
CID 170982598
4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
CID 170698655
2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one
CID 167233174
4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile
CID 167233268
N-methylsulfanyl-1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanamine
CID 167233321
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
4-(2,8-diazaspiro[4.5]decan-8-yl)-7-oxido-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-7-ium
CID 170698623
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
trans-(1S,2S)-2-[8-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-ol
CID 167233367
trans-(1R,2R)-2-[8-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-ol
CID 167233318

Frequently Asked Questions

What is the IUPAC name of 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile?
The IUPAC name of 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile (CID 167233113) is 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile.
What is the SMILES notation for 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile?
The canonical SMILES for 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile is N#CCCN1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1.
What is the InChIKey of 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile?
The InChIKey is YVLXTFYDPJMLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c24-8-1-12-29-13-5-23(17-29)6-14-30(15-7-23)22-19-4-11-26-16-20(19)27-21(28-22)18-2-9-25-10-3-18/h2-4,9-11,16H,1,5-7,12-15,17H2.
What are the key properties of 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile?
3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile has a molecular weight of 399.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile is sourced from PubChem (CID 167233113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).