8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine

C16H14FN7 — CID 154649572

IUPAC8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
SMILESNc1cc(NCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)c(F)c2n1
InChIInChI=1S/C16H14FN7/c17-15-10(12-4-6-21-24-12)1-2-11-13(7-14(18)22-16(11)15)19-8-9-3-5-20-23-9/h1-7H,8H2,(H,20,23)(H,21,24)(H3,18,19,22)
InChIKeyKHLBOXCVDOFWPY-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.68
Rot. Bonds4

About 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine

8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine (PubChem CID 154649572) has the molecular formula C16H14FN7 and a molecular weight of 323.34 g/mol. Its IUPAC name is 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine.

Molecular Properties

Compound Name8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
PubChem CID154649572
Molecular FormulaC16H14FN7
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
SMILESNc1cc(NCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)c(F)c2n1
InChIInChI=1S/C16H14FN7/c17-15-10(12-4-6-21-24-12)1-2-11-13(7-14(18)22-16(11)15)19-8-9-3-5-20-23-9/h1-7H,8H2,(H,20,23)(H,21,24)(H3,18,19,22)
InChIKeyKHLBOXCVDOFWPY-UHFFFAOYSA-N
XLogP2.68
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine with MolForge

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Related Compounds

ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
CID 142517054
5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 115881304
5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 61285074
6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 47280465
2-fluoro-N-(1H-pyrazol-5-ylmethyl)pyridin-3-amine
CID 164653541
3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
CID 137417584
3-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277126
4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417910
5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine
CID 61284873
4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662270
4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 62911967
2-[[2-amino-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-4-yl]amino]ethanol
CID 154649473

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The IUPAC name of 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine (CID 154649572) is 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine.
What is the SMILES notation for 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The canonical SMILES for 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine is Nc1cc(NCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)c(F)c2n1.
What is the InChIKey of 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The InChIKey is KHLBOXCVDOFWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7/c17-15-10(12-4-6-21-24-12)1-2-11-13(7-14(18)22-16(11)15)19-8-9-3-5-20-23-9/h1-7H,8H2,(H,20,23)(H,21,24)(H3,18,19,22).
What are the key properties of 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine has a molecular weight of 323.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine is sourced from PubChem (CID 154649572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).