4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine

C25H29FN6O2 — CID 167233239

IUPAC4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(CC5(F)COC5)C4)CC3)c12
InChIInChI=1S/C25H29FN6O2/c1-33-20-13-28-12-19-21(20)23(30-22(29-19)18-2-7-27-8-3-18)32-10-5-24(6-11-32)4-9-31(14-24)15-25(26)16-34-17-25/h2-3,7-8,12-13H,4-6,9-11,14-17H2,1H3
InChIKeyCQHGBYFMRCQBKD-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.13
Rot. Bonds5

About 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine

4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (PubChem CID 167233239) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
PubChem CID167233239
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(CC5(F)COC5)C4)CC3)c12
InChIInChI=1S/C25H29FN6O2/c1-33-20-13-28-12-19-21(20)23(30-22(29-19)18-2-7-27-8-3-18)32-10-5-24(6-11-32)4-9-31(14-24)15-25(26)16-34-17-25/h2-3,7-8,12-13H,4-6,9-11,14-17H2,1H3
InChIKeyCQHGBYFMRCQBKD-UHFFFAOYSA-N
XLogP3.13
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (CID 167233239) is 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is COc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(CC5(F)COC5)C4)CC3)c12.
What is the InChIKey of 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The InChIKey is CQHGBYFMRCQBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-33-20-13-28-12-19-21(20)23(30-22(29-19)18-2-7-27-8-3-18)32-10-5-24(6-11-32)4-9-31(14-24)15-25(26)16-34-17-25/h2-3,7-8,12-13H,4-6,9-11,14-17H2,1H3.
What are the key properties of 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine has a molecular weight of 464.55 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorooxetan-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 167233239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).