(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone

C16H13F3N6O — CID 67739875

IUPAC(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCc1cc(Nc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n[nH]1
InChIInChI=1S/C16H13F3N6O/c1-8-7-12(25-24-8)22-11-5-4-10(16(17,18)19)13(23-11)14(26)9-3-2-6-21-15(9)20/h2-7H,1H3,(H2,20,21)(H2,22,23,24,25)
InChIKeyYTPSAGWOSJWDFX-UHFFFAOYSA-N
MW362.32 g/mol
LogP3.08
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 67739875) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID67739875
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC Name(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCc1cc(Nc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n[nH]1
InChIInChI=1S/C16H13F3N6O/c1-8-7-12(25-24-8)22-11-5-4-10(16(17,18)19)13(23-11)14(26)9-3-2-6-21-15(9)20/h2-7H,1H3,(H2,20,21)(H2,22,23,24,25)
InChIKeyYTPSAGWOSJWDFX-UHFFFAOYSA-N
XLogP3.08
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 67739875) is (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone is Cc1cc(Nc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n[nH]1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is YTPSAGWOSJWDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O/c1-8-7-12(25-24-8)22-11-5-4-10(16(17,18)19)13(23-11)14(26)9-3-2-6-21-15(9)20/h2-7H,1H3,(H2,20,21)(H2,22,23,24,25).
What are the key properties of (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 362.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 67739875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).