4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide

C24H24N8O4 — CID 170965976

IUPAC4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1cnn([C@H]2CCOC2)c1C#N
InChIInChI=1S/C24H24N8O4/c1-35-22-15(16-11-27-32(19(16)10-25)14-7-8-36-12-14)3-2-4-17(22)28-18-9-20(29-24(34)13-5-6-13)30-31-21(18)23(26)33/h2-4,9,11,13-14H,5-8,12H2,1H3,(H2,26,33)(H2,28,29,30,34)/t14-/m0/s1
InChIKeyJQCVSGXDVICBFW-AWEZNQCLSA-N
MW488.51 g/mol
LogP2.37
Rot. Bonds8

About 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide

4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide (PubChem CID 170965976) has the molecular formula C24H24N8O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
PubChem CID170965976
Molecular FormulaC24H24N8O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC Name4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1cnn([C@H]2CCOC2)c1C#N
InChIInChI=1S/C24H24N8O4/c1-35-22-15(16-11-27-32(19(16)10-25)14-7-8-36-12-14)3-2-4-17(22)28-18-9-20(29-24(34)13-5-6-13)30-31-21(18)23(26)33/h2-4,9,11,13-14H,5-8,12H2,1H3,(H2,26,33)(H2,28,29,30,34)/t14-/m0/s1
InChIKeyJQCVSGXDVICBFW-AWEZNQCLSA-N
XLogP2.37
TPSA170.07 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[3-[3-cyano-1-(oxolan-3-yl)pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
CID 174209246
4-[3-[3-cyano-1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
CID 170965623
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-4-iodooxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 174202291
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965870
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(4-methoxyoxolan-3-yl)pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965928
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170966015
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-4-oxaspiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170965525
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide
CID 166585048

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide?
The IUPAC name of 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide (CID 170965976) is 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide?
The canonical SMILES for 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1cnn([C@H]2CCOC2)c1C#N.
What is the InChIKey of 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide?
The InChIKey is JQCVSGXDVICBFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H24N8O4/c1-35-22-15(16-11-27-32(19(16)10-25)14-7-8-36-12-14)3-2-4-17(22)28-18-9-20(29-24(34)13-5-6-13)30-31-21(18)23(26)33/h2-4,9,11,13-14H,5-8,12H2,1H3,(H2,26,33)(H2,28,29,30,34)/t14-/m0/s1.
What are the key properties of 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide?
4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 170965976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).