7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine

C20H18N8 — CID 155679567

IUPAC7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNc3ccccn3)nc12
InChIInChI=1S/C20H18N8/c21-20-19-15(12-28(27-19)10-9-23-18-3-1-2-7-22-18)14-5-4-13(11-17(14)25-20)16-6-8-24-26-16/h1-8,11-12H,9-10H2,(H2,21,25)(H,22,23)(H,24,26)
InChIKeyRDXYOBCIOHDPAL-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.06
Rot. Bonds5

About 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine

7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 155679567) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
PubChem CID155679567
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNc3ccccn3)nc12
InChIInChI=1S/C20H18N8/c21-20-19-15(12-28(27-19)10-9-23-18-3-1-2-7-22-18)14-5-4-13(11-17(14)25-20)16-6-8-24-26-16/h1-8,11-12H,9-10H2,(H2,21,25)(H,22,23)(H,24,26)
InChIKeyRDXYOBCIOHDPAL-UHFFFAOYSA-N
XLogP3.06
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine (CID 155679567) is 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNc3ccccn3)nc12.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is RDXYOBCIOHDPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c21-20-19-15(12-28(27-19)10-9-23-18-3-1-2-7-22-18)14-5-4-13(11-17(14)25-20)16-6-8-24-26-16/h1-8,11-12H,9-10H2,(H2,21,25)(H,22,23)(H,24,26).
What are the key properties of 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 370.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 155679567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).