7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C25H26ClF3N6O2 — CID 11272605

IUPAC7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(OCCN3CCOCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C25H26ClF3N6O2/c26-20-2-1-8-30-23(20)35-9-7-19-21(16-35)32-24(37-15-12-34-10-13-36-14-11-34)33-22(19)31-18-5-3-17(4-6-18)25(27,28)29/h1-6,8H,7,9-16H2,(H,31,32,33)
InChIKeyOOTNHUPVILNWFQ-UHFFFAOYSA-N
MW534.97 g/mol
LogP4.56
Rot. Bonds7

About 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11272605) has the molecular formula C25H26ClF3N6O2 and a molecular weight of 534.97 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11272605
Molecular FormulaC25H26ClF3N6O2
Molecular Weight534.97 g/mol
Exact Mass534.18
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(OCCN3CCOCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C25H26ClF3N6O2/c26-20-2-1-8-30-23(20)35-9-7-19-21(16-35)32-24(37-15-12-34-10-13-36-14-11-34)33-22(19)31-18-5-3-17(4-6-18)25(27,28)29/h1-6,8H,7,9-16H2,(H,31,32,33)
InChIKeyOOTNHUPVILNWFQ-UHFFFAOYSA-N
XLogP4.56
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.97
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11272605) is 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2nc(OCCN3CCOCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OOTNHUPVILNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N6O2/c26-20-2-1-8-30-23(20)35-9-7-19-21(16-35)32-24(37-15-12-34-10-13-36-14-11-34)33-22(19)31-18-5-3-17(4-6-18)25(27,28)29/h1-6,8H,7,9-16H2,(H,31,32,33).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 534.97 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11272605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).