6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

C39H47N11O3 — CID 177346860

IUPAC6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
SMILESCCC1c2c(cnn2C2CCN(Cc3cccc(C(=O)N(C)C)n3)CC2)-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(=O)NC3CC3)c2N1C
InChIInChI=1S/C39H47N11O3/c1-5-32-36-28(21-40-50(36)26-16-18-49(19-17-26)22-25-8-6-11-30(41-25)39(53)47(2)3)27-9-7-10-29(35(27)48(32)4)43-31-20-33(44-37(51)23-12-13-23)45-46-34(31)38(52)42-24-14-15-24/h6-11,20-21,23-24,26,32H,5,12-19,22H2,1-4H3,(H,42,52)(H2,43,44,45,51)
InChIKeyHTFACYGZOHROIS-UHFFFAOYSA-N
MW717.88 g/mol
LogP5.16
Rot. Bonds11

About 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 177346860) has the molecular formula C39H47N11O3 and a molecular weight of 717.88 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
PubChem CID177346860
Molecular FormulaC39H47N11O3
Molecular Weight717.88 g/mol
Exact Mass717.39
IUPAC Name6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
SMILESCCC1c2c(cnn2C2CCN(Cc3cccc(C(=O)N(C)C)n3)CC2)-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(=O)NC3CC3)c2N1C
InChIInChI=1S/C39H47N11O3/c1-5-32-36-28(21-40-50(36)26-16-18-49(19-17-26)22-25-8-6-11-30(41-25)39(53)47(2)3)27-9-7-10-29(35(27)48(32)4)43-31-20-33(44-37(51)23-12-13-23)45-46-34(31)38(52)42-24-14-15-24/h6-11,20-21,23-24,26,32H,5,12-19,22H2,1-4H3,(H,42,52)(H2,43,44,45,51)
InChIKeyHTFACYGZOHROIS-UHFFFAOYSA-N
XLogP5.16
TPSA153.51 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177346960
6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4R)-4-ethyl-3-[1-[[6-(3-fluoroazetidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177346723
4-[[(4R)-3-[1-[[6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 177346837
4-[[(4S)-3-[1-[[6-[(1R,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]methyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 177347525
6-[[4-[6-[[(1E,3E)-1,4-diamino-1-(cyclopropanecarbonylamino)-5-(cyclopropylamino)-5-oxopenta-1,3-dien-3-yl]amino]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]piperidin-1-yl]methyl]-N,N-dimethylpyridine-2-carboxamide
CID 177348955
6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[4-ethyl-5-methyl-3-[1-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177347117
6-(cyclopropanecarbonylamino)-4-[[(4S)-4-ethyl-5-methyl-3-[1-[[6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexane-5-carbonyl]-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177348148
CID 177348943
CID 177348943
6-(cyclopropanecarbonylamino)-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177346697
6-[[3-[6-[[2-(cyclopropanecarbonylamino)-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-N-ethylpyridine-2-carboxamide
CID 177347198
CID 177347911
CID 177347911
CID 177347574
CID 177347574

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (CID 177346860) is 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is CCC1c2c(cnn2C2CCN(Cc3cccc(C(=O)N(C)C)n3)CC2)-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(=O)NC3CC3)c2N1C.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
The InChIKey is HTFACYGZOHROIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N11O3/c1-5-32-36-28(21-40-50(36)26-16-18-49(19-17-26)22-25-8-6-11-30(41-25)39(53)47(2)3)27-9-7-10-29(35(27)48(32)4)43-31-20-33(44-37(51)23-12-13-23)45-46-34(31)38(52)42-24-14-15-24/h6-11,20-21,23-24,26,32H,5,12-19,22H2,1-4H3,(H,42,52)(H2,43,44,45,51).
What are the key properties of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 717.88 g/mol, XLogP of 5.16, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177346860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).