2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one

C24H26N6O — CID 167233174

IUPAC2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one
SMILESO=C1CCC1N1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1
InChIInChI=1S/C24H26N6O/c31-21-2-1-20(21)30-14-8-24(16-30)6-12-29(13-7-24)23-18-5-11-26-15-19(18)27-22(28-23)17-3-9-25-10-4-17/h3-5,9-11,15,20H,1-2,6-8,12-14,16H2
InChIKeyZCDDGKRRCLWOII-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.11
Rot. Bonds3

About 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one

2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one (PubChem CID 167233174) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one.

Molecular Properties

Compound Name2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one
PubChem CID167233174
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one
SMILESO=C1CCC1N1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1
InChIInChI=1S/C24H26N6O/c31-21-2-1-20(21)30-14-8-24(16-30)6-12-29(13-7-24)23-18-5-11-26-15-19(18)27-22(28-23)17-3-9-25-10-4-17/h3-5,9-11,15,20H,1-2,6-8,12-14,16H2
InChIKeyZCDDGKRRCLWOII-UHFFFAOYSA-N
XLogP3.11
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.11
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
4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
CID 170698655
3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile
CID 167233113
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
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
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
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
tert-butyl 8-(6-bromo-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233385

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one?
The IUPAC name of 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) is 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one.
What is the SMILES notation for 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one?
The canonical SMILES for 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one is O=C1CCC1N1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1.
What is the InChIKey of 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one?
The InChIKey is ZCDDGKRRCLWOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c31-21-2-1-20(21)30-14-8-24(16-30)6-12-29(13-7-24)23-18-5-11-26-15-19(18)27-22(28-23)17-3-9-25-10-4-17/h3-5,9-11,15,20H,1-2,6-8,12-14,16H2.
What are the key properties of 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one?
2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one has a molecular weight of 414.51 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one is sourced from PubChem (CID 167233174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).