8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

C29H32F2N8O2 — CID 171600191

IUPAC8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCc1cc(OC[C@H](C)c2ccccc2)cn2nc(CCN3CC4(CCN(c5nc(F)cc(F)n5)CC4)NC3=O)nc12
InChIInChI=1S/C29H32F2N8O2/c1-19-14-22(41-17-20(2)21-6-4-3-5-7-21)16-39-26(19)34-25(36-39)8-11-38-18-29(35-28(38)40)9-12-37(13-10-29)27-32-23(30)15-24(31)33-27/h3-7,14-16,20H,8-13,17-18H2,1-2H3,(H,35,40)/t20-/m0/s1
InChIKeyPOFWCKBNISBFPF-FQEVSTJZSA-N
MW562.63 g/mol
LogP3.90
Rot. Bonds8

About 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 171600191) has the molecular formula C29H32F2N8O2 and a molecular weight of 562.63 g/mol. Its IUPAC name is 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID171600191
Molecular FormulaC29H32F2N8O2
Molecular Weight562.63 g/mol
Exact Mass562.26
IUPAC Name8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCc1cc(OC[C@H](C)c2ccccc2)cn2nc(CCN3CC4(CCN(c5nc(F)cc(F)n5)CC4)NC3=O)nc12
InChIInChI=1S/C29H32F2N8O2/c1-19-14-22(41-17-20(2)21-6-4-3-5-7-21)16-39-26(19)34-25(36-39)8-11-38-18-29(35-28(38)40)9-12-37(13-10-29)27-32-23(30)15-24(31)33-27/h3-7,14-16,20H,8-13,17-18H2,1-2H3,(H,35,40)/t20-/m0/s1
InChIKeyPOFWCKBNISBFPF-FQEVSTJZSA-N
XLogP3.90
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 171600191) is 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is Cc1cc(OC[C@H](C)c2ccccc2)cn2nc(CCN3CC4(CCN(c5nc(F)cc(F)n5)CC4)NC3=O)nc12.
What is the InChIKey of 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is POFWCKBNISBFPF-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H32F2N8O2/c1-19-14-22(41-17-20(2)21-6-4-3-5-7-21)16-39-26(19)34-25(36-39)8-11-38-18-29(35-28(38)40)9-12-37(13-10-29)27-32-23(30)15-24(31)33-27/h3-7,14-16,20H,8-13,17-18H2,1-2H3,(H,35,40)/t20-/m0/s1.
What are the key properties of 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 562.63 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-difluoropyrimidin-2-yl)-3-[2-[8-methyl-6-[(2R)-2-phenylpropoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 171600191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).