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

C19H18N6 — CID 137417608

IUPAC7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine
SMILESNc1cc(NCCc2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H18N6/c20-19-12-17(22-9-6-14-3-1-2-8-21-14)15-5-4-13(11-18(15)24-19)16-7-10-23-25-16/h1-5,7-8,10-12H,6,9H2,(H,23,25)(H3,20,22,24)
InChIKeyWUEGVTHFRQSFFY-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.26
Rot. Bonds5

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

7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine (PubChem CID 137417608) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine
PubChem CID137417608
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine
SMILESNc1cc(NCCc2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H18N6/c20-19-12-17(22-9-6-14-3-1-2-8-21-14)15-5-4-13(11-18(15)24-19)16-7-10-23-25-16/h1-5,7-8,10-12H,6,9H2,(H,23,25)(H3,20,22,24)
InChIKeyWUEGVTHFRQSFFY-UHFFFAOYSA-N
XLogP3.26
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417642
7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
CID 137417972
4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517047
(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol
CID 137417579
4-N-(2-methyl-2-methylsulfinylpropyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517015
7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 158554210
2-[[2-amino-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-4-yl]amino]ethanol
CID 154649473
4-N-(3-aminopropyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-N,N-dimethylpentanamide;deuterio(fluoro)methane
CID 159663075
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol
CID 137417812
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649329
7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
CID 155679567

Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine (CID 137417608) is 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine is Nc1cc(NCCc2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine?
The InChIKey is WUEGVTHFRQSFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-19-12-17(22-9-6-14-3-1-2-8-21-14)15-5-4-13(11-18(15)24-19)16-7-10-23-25-16/h1-5,7-8,10-12H,6,9H2,(H,23,25)(H3,20,22,24).
What are the key properties of 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine?
7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine has a molecular weight of 330.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine is sourced from PubChem (CID 137417608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).