N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine

C24H21F3N6O2 — CID 11260210

IUPACN-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCOCc1nc(Nc2ccc3c(c2)N(C)CCO3)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C24H21F3N6O2/c1-33-10-11-35-19-8-5-14(12-18(19)33)29-22-15-6-7-17(30-23(15)32-20(31-22)13-34-2)21-16(24(25,26)27)4-3-9-28-21/h3-9,12H,10-11,13H2,1-2H3,(H,29,30,31,32)
InChIKeySYXVSGUYGDUTHQ-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.82
Rot. Bonds5

About N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine

N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine (PubChem CID 11260210) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
PubChem CID11260210
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC NameN-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCOCc1nc(Nc2ccc3c(c2)N(C)CCO3)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C24H21F3N6O2/c1-33-10-11-35-19-8-5-14(12-18(19)33)29-22-15-6-7-17(30-23(15)32-20(31-22)13-34-2)21-16(24(25,26)27)4-3-9-28-21/h3-9,12H,10-11,13H2,1-2H3,(H,29,30,31,32)
InChIKeySYXVSGUYGDUTHQ-UHFFFAOYSA-N
XLogP4.82
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine 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-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The IUPAC name of N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine (CID 11260210) is N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine.
What is the SMILES notation for N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The canonical SMILES for N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine is COCc1nc(Nc2ccc3c(c2)N(C)CCO3)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.
What is the InChIKey of N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The InChIKey is SYXVSGUYGDUTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-33-10-11-35-19-8-5-14(12-18(19)33)29-22-15-6-7-17(30-23(15)32-20(31-22)13-34-2)21-16(24(25,26)27)4-3-9-28-21/h3-9,12H,10-11,13H2,1-2H3,(H,29,30,31,32).
What are the key properties of N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine has a molecular weight of 482.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine is sourced from PubChem (CID 11260210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).