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

C23H26F2N6O — CID 167233081

IUPAC4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(CC(F)F)C4)CC3)c12
InChIInChI=1S/C23H26F2N6O/c1-32-18-13-27-12-17-20(18)22(29-21(28-17)16-2-7-26-8-3-16)31-10-5-23(6-11-31)4-9-30(15-23)14-19(24)25/h2-3,7-8,12-13,19H,4-6,9-11,14-15H2,1H3
InChIKeyCGYHRNCERBMTIR-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.65
Rot. Bonds5

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

4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (PubChem CID 167233081) has the molecular formula C23H26F2N6O and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
PubChem CID167233081
Molecular FormulaC23H26F2N6O
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(CC(F)F)C4)CC3)c12
InChIInChI=1S/C23H26F2N6O/c1-32-18-13-27-12-17-20(18)22(29-21(28-17)16-2-7-26-8-3-16)31-10-5-23(6-11-31)4-9-30(15-23)14-19(24)25/h2-3,7-8,12-13,19H,4-6,9-11,14-15H2,1H3
InChIKeyCGYHRNCERBMTIR-UHFFFAOYSA-N
XLogP3.65
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (CID 167233081) is 4-[2-(2,2-difluoroethyl)-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-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is COc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(CC(F)F)C4)CC3)c12.
What is the InChIKey of 4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The InChIKey is CGYHRNCERBMTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O/c1-32-18-13-27-12-17-20(18)22(29-21(28-17)16-2-7-26-8-3-16)31-10-5-23(6-11-31)4-9-30(15-23)14-19(24)25/h2-3,7-8,12-13,19H,4-6,9-11,14-15H2,1H3.
What are the key properties of 4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine has a molecular weight of 440.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 167233081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).