6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

C16H16F3N7 — CID 90055012

IUPAC6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(N3CCCC(c4cc(C(F)(F)F)n[nH]4)C3)nc12
InChIInChI=1S/C16H16F3N7/c17-16(18,19)12-6-11(24-25-12)9-2-1-5-26(7-9)13-4-3-10-14(23-13)15(20)22-8-21-10/h3-4,6,8-9H,1-2,5,7H2,(H,24,25)(H2,20,21,22)
InChIKeyDHYKQOVACMIIHF-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.73
Rot. Bonds2

About 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90055012) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90055012
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Name6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(N3CCCC(c4cc(C(F)(F)F)n[nH]4)C3)nc12
InChIInChI=1S/C16H16F3N7/c17-16(18,19)12-6-11(24-25-12)9-2-1-5-26(7-9)13-4-3-10-14(23-13)15(20)22-8-21-10/h3-4,6,8-9H,1-2,5,7H2,(H,24,25)(H2,20,21,22)
InChIKeyDHYKQOVACMIIHF-UHFFFAOYSA-N
XLogP2.73
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(1,2-oxazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 175964602
6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 90016640
6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016788
6-(3-methoxypiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 90016691
6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017067
6-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine;6-(3-morpholin-4-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine;6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 158060122
6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016593
2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide
CID 146539577
2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 167974307
1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927080
1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane
CID 136572266
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926893

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 90055012) is 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(N3CCCC(c4cc(C(F)(F)F)n[nH]4)C3)nc12.
What is the InChIKey of 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DHYKQOVACMIIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c17-16(18,19)12-6-11(24-25-12)9-2-1-5-26(7-9)13-4-3-10-14(23-13)15(20)22-8-21-10/h3-4,6,8-9H,1-2,5,7H2,(H,24,25)(H2,20,21,22).
What are the key properties of 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 363.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90055012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).