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

C19H19ClN6O2 — CID 118365609

IUPACN-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1cccc2nc(Nc3cnn(C4CCOCC4)c3Cl)c3[nH]ncc3c12
InChIInChI=1S/C19H19ClN6O2/c1-27-15-4-2-3-13-16(15)12-9-21-25-17(12)19(23-13)24-14-10-22-26(18(14)20)11-5-7-28-8-6-11/h2-4,9-11H,5-8H2,1H3,(H,21,25)(H,23,24)
InChIKeyWMKOLIQPRDNJDL-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.06
Rot. Bonds4

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

N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 118365609) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID118365609
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC NameN-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1cccc2nc(Nc3cnn(C4CCOCC4)c3Cl)c3[nH]ncc3c12
InChIInChI=1S/C19H19ClN6O2/c1-27-15-4-2-3-13-16(15)12-9-21-25-17(12)19(23-13)24-14-10-22-26(18(14)20)11-5-7-28-8-6-11/h2-4,9-11H,5-8H2,1H3,(H,21,25)(H,23,24)
InChIKeyWMKOLIQPRDNJDL-UHFFFAOYSA-N
XLogP4.06
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
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
1-[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine
CID 135497835
N-[[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 135497843
N-[[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]butan-1-amine
CID 135497844
4-(2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)isoquinoline
CID 135620680

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 118365609) is N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1cccc2nc(Nc3cnn(C4CCOCC4)c3Cl)c3[nH]ncc3c12.
What is the InChIKey of N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is WMKOLIQPRDNJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-27-15-4-2-3-13-16(15)12-9-21-25-17(12)19(23-13)24-14-10-22-26(18(14)20)11-5-7-28-8-6-11/h2-4,9-11H,5-8H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 398.85 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(oxan-4-yl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 118365609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).