7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C23H23ClF3N7 — CID 11340791

IUPAC7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCNCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C23H23ClF3N7/c24-18-2-1-8-29-21(18)34-11-7-17-19(14-34)31-22(33-12-9-28-10-13-33)32-20(17)30-16-5-3-15(4-6-16)23(25,26)27/h1-6,8,28H,7,9-14H2,(H,30,31,32)
InChIKeyXXVOOWZVUJBXQK-UHFFFAOYSA-N
MW489.93 g/mol
LogP4.26
Rot. Bonds4

About 7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11340791) has the molecular formula C23H23ClF3N7 and a molecular weight of 489.93 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11340791
Molecular FormulaC23H23ClF3N7
Molecular Weight489.93 g/mol
Exact Mass489.17
IUPAC Name7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCNCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C23H23ClF3N7/c24-18-2-1-8-29-21(18)34-11-7-17-19(14-34)31-22(33-12-9-28-10-13-33)32-20(17)30-16-5-3-15(4-6-16)23(25,26)27/h1-6,8,28H,7,9-14H2,(H,30,31,32)
InChIKeyXXVOOWZVUJBXQK-UHFFFAOYSA-N
XLogP4.26
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.93
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-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-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11340791) is 7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-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-piperazin-1-yl-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-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2nc(N3CCNCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is XXVOOWZVUJBXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N7/c24-18-2-1-8-29-21(18)34-11-7-17-19(14-34)31-22(33-12-9-28-10-13-33)32-20(17)30-16-5-3-15(4-6-16)23(25,26)27/h1-6,8,28H,7,9-14H2,(H,30,31,32).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 489.93 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11340791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).