4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

C19H16F2N6 — CID 137417642

IUPAC4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCC(F)(F)c2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H16F2N6/c20-19(21,17-3-1-2-7-23-17)11-24-15-10-18(22)26-16-9-12(4-5-13(15)16)14-6-8-25-27-14/h1-10H,11H2,(H,25,27)(H3,22,24,26)
InChIKeyUKLYCODENQWJGA-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.81
Rot. Bonds5

About 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 137417642) has the molecular formula C19H16F2N6 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
PubChem CID137417642
Molecular FormulaC19H16F2N6
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCC(F)(F)c2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H16F2N6/c20-19(21,17-3-1-2-7-23-17)11-24-15-10-18(22)26-16-9-12(4-5-13(15)16)14-6-8-25-27-14/h1-10H,11H2,(H,25,27)(H3,22,24,26)
InChIKeyUKLYCODENQWJGA-UHFFFAOYSA-N
XLogP3.81
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 137417642) is 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is Nc1cc(NCC(F)(F)c2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The InChIKey is UKLYCODENQWJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6/c20-19(21,17-3-1-2-7-23-17)11-24-15-10-18(22)26-16-9-12(4-5-13(15)16)14-6-8-25-27-14/h1-10H,11H2,(H,25,27)(H3,22,24,26).
What are the key properties of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 366.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 137417642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).