9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine

C18H18N6 — CID 155619047

IUPAC9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CN(C)CC2
InChIInChI=1S/C18H18N6/c1-10-12(7-19-22-10)18-14-9-24(2)6-5-11(14)17-13-8-20-23-15(13)3-4-16(17)21-18/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQZJGHWCFOANCJN-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.80
Rot. Bonds1

About 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine

9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine (PubChem CID 155619047) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine.

Molecular Properties

Compound Name9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
PubChem CID155619047
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CN(C)CC2
InChIInChI=1S/C18H18N6/c1-10-12(7-19-22-10)18-14-9-24(2)6-5-11(14)17-13-8-20-23-15(13)3-4-16(17)21-18/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQZJGHWCFOANCJN-UHFFFAOYSA-N
XLogP2.80
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ly-364947
CID 447966
Camizestrant
CID 134453496
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
US10131663, Example 29
CID 134453532
N-[1-(3-fluoropropyl)azetidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
CID 134453535
6-[(6S,8R)-7-(2,2-difluoroethyl)-6,8-dimethyl-8,9-dihydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 134453542
6-[(6S,8R)-7-(2-fluoro-2-methylpropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 134453564
6-[(6S,8R)-7-(2,2-difluoropropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 134453567

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine?
The IUPAC name of 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine (CID 155619047) is 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine.
What is the SMILES notation for 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine?
The canonical SMILES for 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine is Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CN(C)CC2.
What is the InChIKey of 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine?
The InChIKey is QZJGHWCFOANCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-10-12(7-19-22-10)18-14-9-24(2)6-5-11(14)17-13-8-20-23-15(13)3-4-16(17)21-18/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine?
9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine has a molecular weight of 318.38 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine is sourced from PubChem (CID 155619047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).