6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

C22H24ClN7O2 — CID 177347980

IUPAC6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CCOCC1
InChIInChI=1S/C22H24ClN7O2/c1-24-22(31)20-17(10-19(23)27-28-20)26-16-5-3-4-14-15-11-25-30(13-6-8-32-9-7-13)18(15)12-29(2)21(14)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,31)(H,26,27)
InChIKeyHNRPDUBTEOXBKT-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.40
Rot. Bonds4

About 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 177347980) has the molecular formula C22H24ClN7O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
PubChem CID177347980
Molecular FormulaC22H24ClN7O2
Molecular Weight453.93 g/mol
Exact Mass453.17
IUPAC Name6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CCOCC1
InChIInChI=1S/C22H24ClN7O2/c1-24-22(31)20-17(10-19(23)27-28-20)26-16-5-3-4-14-15-11-25-30(13-6-8-32-9-7-13)18(15)12-29(2)21(14)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,31)(H,26,27)
InChIKeyHNRPDUBTEOXBKT-UHFFFAOYSA-N
XLogP3.40
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (CID 177347980) is 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CCOCC1.
What is the InChIKey of 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
The InChIKey is HNRPDUBTEOXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O2/c1-24-22(31)20-17(10-19(23)27-28-20)26-16-5-3-4-14-15-11-25-30(13-6-8-32-9-7-13)18(15)12-29(2)21(14)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,31)(H,26,27).
What are the key properties of 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177347980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).