N-[(3R)-1-[2,7-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide

C25H29F3N6O — CID 168874824

IUPACN-[(3R)-1-[2,7-dimethyl-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(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)nc(C)nc3nc2C)C1
InChIInChI=1S/C25H29F3N6O/c1-13-19(7-6-8-21(13)25(26,27)28)14(2)29-23-20-11-22(15(3)30-24(20)32-16(4)31-23)34-10-9-18(12-34)33-17(5)35/h6-8,11,14,18H,9-10,12H2,1-5H3,(H,33,35)(H,29,30,31,32)/t14-,18-/m1/s1
InChIKeyVZAFFOSCYJYEDF-RDTXWAMCSA-N
MW486.54 g/mol
LogP4.86
Rot. Bonds5

About N-[(3R)-1-[2,7-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[2,7-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide (PubChem CID 168874824) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[(3R)-1-[2,7-dimethyl-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-[2,7-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
PubChem CID168874824
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC NameN-[(3R)-1-[2,7-dimethyl-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(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)nc(C)nc3nc2C)C1
InChIInChI=1S/C25H29F3N6O/c1-13-19(7-6-8-21(13)25(26,27)28)14(2)29-23-20-11-22(15(3)30-24(20)32-16(4)31-23)34-10-9-18(12-34)33-17(5)35/h6-8,11,14,18H,9-10,12H2,1-5H3,(H,33,35)(H,29,30,31,32)/t14-,18-/m1/s1
InChIKeyVZAFFOSCYJYEDF-RDTXWAMCSA-N
XLogP4.86
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2,7-dimethyl-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-[2,7-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide (CID 168874824) is N-[(3R)-1-[2,7-dimethyl-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-[2,7-dimethyl-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-[2,7-dimethyl-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(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)nc(C)nc3nc2C)C1.
What is the InChIKey of N-[(3R)-1-[2,7-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is VZAFFOSCYJYEDF-RDTXWAMCSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-13-19(7-6-8-21(13)25(26,27)28)14(2)29-23-20-11-22(15(3)30-24(20)32-16(4)31-23)34-10-9-18(12-34)33-17(5)35/h6-8,11,14,18H,9-10,12H2,1-5H3,(H,33,35)(H,29,30,31,32)/t14-,18-/m1/s1.
What are the key properties of N-[(3R)-1-[2,7-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[2,7-dimethyl-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 486.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2,7-dimethyl-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 168874824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).