6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide

C24H27N7O5 — CID 170965870

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ccn([C@@H]2COC[C@H]2OC)n1
InChIInChI=1S/C24H27N7O5/c1-34-19-12-36-11-18(19)31-9-8-15(30-31)14-4-3-5-16(22(14)35-2)26-17-10-20(27-24(33)13-6-7-13)28-29-21(17)23(25)32/h3-5,8-10,13,18-19H,6-7,11-12H2,1-2H3,(H2,25,32)(H2,26,27,28,33)/t18-,19-/m1/s1
InChIKeyUHRJCESGRYFNTR-RTBURBONSA-N
MW493.52 g/mol
LogP2.13
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide (PubChem CID 170965870) has the molecular formula C24H27N7O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
PubChem CID170965870
Molecular FormulaC24H27N7O5
Molecular Weight493.52 g/mol
Exact Mass493.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ccn([C@@H]2COC[C@H]2OC)n1
InChIInChI=1S/C24H27N7O5/c1-34-19-12-36-11-18(19)31-9-8-15(30-31)14-4-3-5-16(22(14)35-2)26-17-10-20(27-24(33)13-6-7-13)28-29-21(17)23(25)32/h3-5,8-10,13,18-19H,6-7,11-12H2,1-2H3,(H2,25,32)(H2,26,27,28,33)/t18-,19-/m1/s1
InChIKeyUHRJCESGRYFNTR-RTBURBONSA-N
XLogP2.13
TPSA155.51 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170966015
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-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
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-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
4-[3-[5-cyano-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
CID 170965976
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 75202034

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide (CID 170965870) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ccn([C@@H]2COC[C@H]2OC)n1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide?
The InChIKey is UHRJCESGRYFNTR-RTBURBONSA-N. The full InChI is InChI=1S/C24H27N7O5/c1-34-19-12-36-11-18(19)31-9-8-15(30-31)14-4-3-5-16(22(14)35-2)26-17-10-20(27-24(33)13-6-7-13)28-29-21(17)23(25)32/h3-5,8-10,13,18-19H,6-7,11-12H2,1-2H3,(H2,25,32)(H2,26,27,28,33)/t18-,19-/m1/s1.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 170965870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).