4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C19H14F3N7 — CID 86287739

IUPAC4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCc1cncc(-c2cc(Nc3nn(C)cc3C(F)(F)F)nc3[nH]cc(C#N)c23)c1
InChIInChI=1S/C19H14F3N7/c1-10-3-11(7-24-6-10)13-4-15(27-18-16(13)12(5-23)8-25-18)26-17-14(19(20,21)22)9-29(2)28-17/h3-4,6-9H,1-2H3,(H2,25,26,27,28)
InChIKeyGRGHLILILXVPIC-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.30
Rot. Bonds3

About 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 86287739) has the molecular formula C19H14F3N7 and a molecular weight of 397.36 g/mol. Its IUPAC name is 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID86287739
Molecular FormulaC19H14F3N7
Molecular Weight397.36 g/mol
Exact Mass397.13
IUPAC Name4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCc1cncc(-c2cc(Nc3nn(C)cc3C(F)(F)F)nc3[nH]cc(C#N)c23)c1
InChIInChI=1S/C19H14F3N7/c1-10-3-11(7-24-6-10)13-4-15(27-18-16(13)12(5-23)8-25-18)26-17-14(19(20,21)22)9-29(2)28-17/h3-4,6-9H,1-2H3,(H2,25,26,27,28)
InChIKeyGRGHLILILXVPIC-UHFFFAOYSA-N
XLogP4.30
TPSA95.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 86287739) is 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is Cc1cncc(-c2cc(Nc3nn(C)cc3C(F)(F)F)nc3[nH]cc(C#N)c23)c1.
What is the InChIKey of 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is GRGHLILILXVPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7/c1-10-3-11(7-24-6-10)13-4-15(27-18-16(13)12(5-23)8-25-18)26-17-14(19(20,21)22)9-29(2)28-17/h3-4,6-9H,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 397.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-pyridinyl)-6-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 86287739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).