N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide

C24H27F3N6O — CID 163365506

IUPACN-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cnc3nc(C)nc(N[C@H](C)c4cccc(C(F)(F)F)c4C)c3c2)C1
InChIInChI=1S/C24H27F3N6O/c1-13-19(6-5-7-21(13)24(25,26)27)14(2)29-23-20-10-18(11-28-22(20)30-15(3)31-23)33-9-8-17(12-33)32-16(4)34/h5-7,10-11,14,17H,8-9,12H2,1-4H3,(H,32,34)(H,28,29,30,31)/t14-,17-/m1/s1
InChIKeyOKMYHYCPPRIBJR-RHSMWYFYSA-N
MW472.52 g/mol
LogP4.55
Rot. Bonds5

About N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide (PubChem CID 163365506) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
PubChem CID163365506
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC NameN-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cnc3nc(C)nc(N[C@H](C)c4cccc(C(F)(F)F)c4C)c3c2)C1
InChIInChI=1S/C24H27F3N6O/c1-13-19(6-5-7-21(13)24(25,26)27)14(2)29-23-20-10-18(11-28-22(20)30-15(3)31-23)33-9-8-17(12-33)32-16(4)34/h5-7,10-11,14,17H,8-9,12H2,1-4H3,(H,32,34)(H,28,29,30,31)/t14-,17-/m1/s1
InChIKeyOKMYHYCPPRIBJR-RHSMWYFYSA-N
XLogP4.55
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide (CID 163365506) is N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cnc3nc(C)nc(N[C@H](C)c4cccc(C(F)(F)F)c4C)c3c2)C1.
What is the InChIKey of N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is OKMYHYCPPRIBJR-RHSMWYFYSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-13-19(6-5-7-21(13)24(25,26)27)14(2)29-23-20-10-18(11-28-22(20)30-15(3)31-23)33-9-8-17(12-33)32-16(4)34/h5-7,10-11,14,17H,8-9,12H2,1-4H3,(H,32,34)(H,28,29,30,31)/t14-,17-/m1/s1.
What are the key properties of N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 163365506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).