N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide

C32H26F5N5O6 — CID 87427405

IUPACN-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(N(C(=O)C(F)(F)F)c2cc(O)c(C)c(O)c2)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C32H26F5N5O6/c1-15-6-7-18(41(30(48)32(35,36)37)19-11-24(45)16(2)25(46)12-19)10-21(15)27-20-8-9-26(47)42(28-22(33)4-3-5-23(28)34)29(20)40-31(39-27)38-17(13-43)14-44/h3-12,17,43-46H,13-14H2,1-2H3,(H,38,39,40)
InChIKeyYGQWAIJUXJCVII-UHFFFAOYSA-N
MW671.58 g/mol
LogP4.75
Rot. Bonds8

About N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide

N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 87427405) has the molecular formula C32H26F5N5O6 and a molecular weight of 671.58 g/mol. Its IUPAC name is N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide
PubChem CID87427405
Molecular FormulaC32H26F5N5O6
Molecular Weight671.58 g/mol
Exact Mass671.18
IUPAC NameN-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(N(C(=O)C(F)(F)F)c2cc(O)c(C)c(O)c2)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C32H26F5N5O6/c1-15-6-7-18(41(30(48)32(35,36)37)19-11-24(45)16(2)25(46)12-19)10-21(15)27-20-8-9-26(47)42(28-22(33)4-3-5-23(28)34)29(20)40-31(39-27)38-17(13-43)14-44/h3-12,17,43-46H,13-14H2,1-2H3,(H,38,39,40)
InChIKeyYGQWAIJUXJCVII-UHFFFAOYSA-N
XLogP4.75
TPSA161.04 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.58
LogP ≤ 54.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide (CID 87427405) is N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide is Cc1ccc(N(C(=O)C(F)(F)F)c2cc(O)c(C)c(O)c2)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is YGQWAIJUXJCVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F5N5O6/c1-15-6-7-18(41(30(48)32(35,36)37)19-11-24(45)16(2)25(46)12-19)10-21(15)27-20-8-9-26(47)42(28-22(33)4-3-5-23(28)34)29(20)40-31(39-27)38-17(13-43)14-44/h3-12,17,43-46H,13-14H2,1-2H3,(H,38,39,40).
What are the key properties of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide?
N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 671.58 g/mol, XLogP of 4.75, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-N-(3,5-dihydroxy-4-methylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87427405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).