6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H15N5O2 — CID 660958

IUPAC6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOCc1[nH]nc2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C18H15N5O2/c1-24-9-14-16-15(12(8-19)17(20)25-18(16)23-22-14)11-6-7-21-13-5-3-2-4-10(11)13/h2-7,15H,9,20H2,1H3,(H,22,23)
InChIKeyUONOBGKRLGWJEE-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.32
Rot. Bonds3

About 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 660958) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID660958
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOCc1[nH]nc2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C18H15N5O2/c1-24-9-14-16-15(12(8-19)17(20)25-18(16)23-22-14)11-6-7-21-13-5-3-2-4-10(11)13/h2-7,15H,9,20H2,1H3,(H,22,23)
InChIKeyUONOBGKRLGWJEE-UHFFFAOYSA-N
XLogP2.32
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 660958) is 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COCc1[nH]nc2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is UONOBGKRLGWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-24-9-14-16-15(12(8-19)17(20)25-18(16)23-22-14)11-6-7-21-13-5-3-2-4-10(11)13/h2-7,15H,9,20H2,1H3,(H,22,23).
What are the key properties of 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 333.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(methoxymethyl)-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 660958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).