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

C19H15ClF3N5O2S — CID 59346503

IUPAC6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ncnc3c2CN(c2ncccc2Cl)CC3)cc1)C(F)(F)F
InChIInChI=1S/C19H15ClF3N5O2S/c20-15-2-1-8-24-18(15)28-9-7-16-14(10-28)17(26-11-25-16)27-12-3-5-13(6-4-12)31(29,30)19(21,22)23/h1-6,8,11H,7,9-10H2,(H,25,26,27)
InChIKeyUNLAFUDHXQWSDE-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.12
Rot. Bonds4

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

6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346503) has the molecular formula C19H15ClF3N5O2S and a molecular weight of 469.88 g/mol. Its IUPAC name is 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346503
Molecular FormulaC19H15ClF3N5O2S
Molecular Weight469.88 g/mol
Exact Mass469.06
IUPAC Name6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ncnc3c2CN(c2ncccc2Cl)CC3)cc1)C(F)(F)F
InChIInChI=1S/C19H15ClF3N5O2S/c20-15-2-1-8-24-18(15)28-9-7-16-14(10-28)17(26-11-25-16)27-12-3-5-13(6-4-12)31(29,30)19(21,22)23/h1-6,8,11H,7,9-10H2,(H,25,26,27)
InChIKeyUNLAFUDHXQWSDE-UHFFFAOYSA-N
XLogP4.12
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346503) is 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is O=S(=O)(c1ccc(Nc2ncnc3c2CN(c2ncccc2Cl)CC3)cc1)C(F)(F)F.
What is the InChIKey of 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UNLAFUDHXQWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2S/c20-15-2-1-8-24-18(15)28-9-7-16-14(10-28)17(26-11-25-16)27-12-3-5-13(6-4-12)31(29,30)19(21,22)23/h1-6,8,11H,7,9-10H2,(H,25,26,27).
What are the key properties of 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 469.88 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).