1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea

C17H18N6O2 — CID 118365140

IUPAC1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NC3CNc4ccccc4C3)ncc12
InChIInChI=1S/C17H18N6O2/c1-25-16-12-9-19-15(7-14(12)22-23-16)21-17(24)20-11-6-10-4-2-3-5-13(10)18-8-11/h2-5,7,9,11,18H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)
InChIKeyQCPWZHYXRRTTNU-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea

1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea (PubChem CID 118365140) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea.

Molecular Properties

Compound Name1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea
PubChem CID118365140
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NC3CNc4ccccc4C3)ncc12
InChIInChI=1S/C17H18N6O2/c1-25-16-12-9-19-15(7-14(12)22-23-16)21-17(24)20-11-6-10-4-2-3-5-13(10)18-8-11/h2-5,7,9,11,18H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)
InChIKeyQCPWZHYXRRTTNU-UHFFFAOYSA-N
XLogP2.12
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea?
The IUPAC name of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea (CID 118365140) is 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea.
What is the SMILES notation for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea?
The canonical SMILES for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea is COc1n[nH]c2cc(NC(=O)NC3CNc4ccccc4C3)ncc12.
What is the InChIKey of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea?
The InChIKey is QCPWZHYXRRTTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-16-12-9-19-15(7-14(12)22-23-16)21-17(24)20-11-6-10-4-2-3-5-13(10)18-8-11/h2-5,7,9,11,18H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24).
What are the key properties of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea?
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea has a molecular weight of 338.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1,2,3,4-tetrahydroquinolin-3-yl)urea is sourced from PubChem (CID 118365140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).