6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide

C24H27N7O5 — CID 170966015

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])OC1COCC1n1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2OC)cn1
InChIInChI=1S/C24H27N7O5/c1-34-19-12-36-11-18(19)31-10-14(9-26-31)15-4-3-5-16(22(15)35-2)27-17-8-20(28-24(33)13-6-7-13)29-30-21(17)23(25)32/h3-5,8-10,13,18-19H,6-7,11-12H2,1-2H3,(H2,25,32)(H2,27,28,29,33)/i1D3
InChIKeyNEJLHFDBLNLVFB-FIBGUPNXSA-N
MW496.54 g/mol
LogP2.13
Rot. Bonds10

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide (PubChem CID 170966015) has the molecular formula C24H27N7O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
PubChem CID170966015
Molecular FormulaC24H27N7O5
Molecular Weight496.54 g/mol
Exact Mass496.23
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])OC1COCC1n1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2OC)cn1
InChIInChI=1S/C24H27N7O5/c1-34-19-12-36-11-18(19)31-10-14(9-26-31)15-4-3-5-16(22(15)35-2)27-17-8-20(28-24(33)13-6-7-13)29-30-21(17)23(25)32/h3-5,8-10,13,18-19H,6-7,11-12H2,1-2H3,(H2,25,32)(H2,27,28,29,33)/i1D3
InChIKeyNEJLHFDBLNLVFB-FIBGUPNXSA-N
XLogP2.13
TPSA155.51 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-4-iodooxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 174202291
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
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-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965686
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-[3-[1-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965893
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(4R)-5-oxaspiro[3.5]nonan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 174199427
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170966064
N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839908
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide (CID 170966015) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide is [2H]C([2H])([2H])OC1COCC1n1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2OC)cn1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide?
The InChIKey is NEJLHFDBLNLVFB-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H27N7O5/c1-34-19-12-36-11-18(19)31-10-14(9-26-31)15-4-3-5-16(22(15)35-2)27-17-8-20(28-24(33)13-6-7-13)29-30-21(17)23(25)32/h3-5,8-10,13,18-19H,6-7,11-12H2,1-2H3,(H2,25,32)(H2,27,28,29,33)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 2.13, 10 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-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 170966015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).