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

C23H26N6O — CID 175988940

IUPAC3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal
SMILESO=CCCN1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1
InChIInChI=1S/C23H26N6O/c30-15-1-11-28-12-5-23(17-28)6-13-29(14-7-23)22-19-4-10-25-16-20(19)26-21(27-22)18-2-8-24-9-3-18/h2-4,8-10,15-16H,1,5-7,11-14,17H2
InChIKeyRVBSEGNFYQAKBY-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.97
Rot. Bonds5

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

3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal (PubChem CID 175988940) has the molecular formula C23H26N6O and a molecular weight of 402.50 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]propanal.

Molecular Properties

Compound Name3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal
PubChem CID175988940
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal
SMILESO=CCCN1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1
InChIInChI=1S/C23H26N6O/c30-15-1-11-28-12-5-23(17-28)6-13-29(14-7-23)22-19-4-10-25-16-20(19)26-21(27-22)18-2-8-24-9-3-18/h2-4,8-10,15-16H,1,5-7,11-14,17H2
InChIKeyRVBSEGNFYQAKBY-UHFFFAOYSA-N
XLogP2.97
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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]propanenitrile
CID 167233113
[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
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
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-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
CID 170698655
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
tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233315
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
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
4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile
CID 167233268
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

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]propanal?
The IUPAC name of 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal (CID 175988940) is 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal.
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]propanal?
The canonical SMILES for 3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal is O=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]propanal?
The InChIKey is RVBSEGNFYQAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c30-15-1-11-28-12-5-23(17-28)6-13-29(14-7-23)22-19-4-10-25-16-20(19)26-21(27-22)18-2-8-24-9-3-18/h2-4,8-10,15-16H,1,5-7,11-14,17H2.
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]propanal?
3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal has a molecular weight of 402.50 g/mol, XLogP of 2.97, 5 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]propanal is sourced from PubChem (CID 175988940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).