N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C17H17ClN6O2 — CID 90104360

IUPACN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOCCn1ncc(Nc2nc3cccc(OC)c3c3cn[nH]c23)c1Cl
InChIInChI=1S/C17H17ClN6O2/c1-25-7-6-24-16(18)12(9-20-24)22-17-15-10(8-19-23-15)14-11(21-17)4-3-5-13(14)26-2/h3-5,8-9H,6-7H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyJXCLQZWPSORWNU-UHFFFAOYSA-N
MW372.82 g/mol
LogP3.36
Rot. Bonds6

About N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90104360) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90104360
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOCCn1ncc(Nc2nc3cccc(OC)c3c3cn[nH]c23)c1Cl
InChIInChI=1S/C17H17ClN6O2/c1-25-7-6-24-16(18)12(9-20-24)22-17-15-10(8-19-23-15)14-11(21-17)4-3-5-13(14)26-2/h3-5,8-9H,6-7H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyJXCLQZWPSORWNU-UHFFFAOYSA-N
XLogP3.36
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-Dimethoxyphenyl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 68291131
2-[4-[3-chloro-4-(1H-indazol-4-yloxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 25026281
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869143
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869315
US10772893, Example 40
CID 118869375
US10772893, Example 67
CID 118869603
US10772893, Example 51
CID 118890650
6-methoxy-2-(4-(2-(4-methylpyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-benzo[d]imidazole
CID 135620673
4-(2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)isoquinoline
CID 135620680
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole
CID 137133117
US10457677, Example 119
CID 122589374

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90104360) is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COCCn1ncc(Nc2nc3cccc(OC)c3c3cn[nH]c23)c1Cl.
What is the InChIKey of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is JXCLQZWPSORWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-25-7-6-24-16(18)12(9-20-24)22-17-15-10(8-19-23-15)14-11(21-17)4-3-5-13(14)26-2/h3-5,8-9H,6-7H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 372.82 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90104360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).