CID 174037318

C24H26B3N7O3S — CID 174037318

IUPAC—
SMILES[B]C([B])([B])NC(=O)c1nnccc1Nc1cccc(-c2ncc(C(=O)NCCC3CCCN3C)s2)c1OC
InChIInChI=1S/C24H26B3N7O3S/c1-34-12-4-5-14(34)8-10-28-21(35)18-13-29-23(38-18)15-6-3-7-17(20(15)37-2)31-16-9-11-30-33-19(16)22(36)32-24(25,26)27/h3,6-7,9,11,13-14H,4-5,8,10,12H2,1-2H3,(H,28,35)(H,30,31)(H,32,36)
InChIKeyIRUWNNYWWQHBJX-UHFFFAOYSA-N
MW525.02 g/mol
LogP1.41
Rot. Bonds10

About CID 174037318

CID 174037318 (PubChem CID 174037318) has the molecular formula C24H26B3N7O3S and a molecular weight of 525.02 g/mol.

Molecular Properties

Compound NameCID 174037318
PubChem CID174037318
Molecular FormulaC24H26B3N7O3S
Molecular Weight525.02 g/mol
Exact Mass525.21
IUPAC Name—
SMILES[B]C([B])([B])NC(=O)c1nnccc1Nc1cccc(-c2ncc(C(=O)NCCC3CCCN3C)s2)c1OC
InChIInChI=1S/C24H26B3N7O3S/c1-34-12-4-5-14(34)8-10-28-21(35)18-13-29-23(38-18)15-6-3-7-17(20(15)37-2)31-16-9-11-30-33-19(16)22(36)32-24(25,26)27/h3,6-7,9,11,13-14H,4-5,8,10,12H2,1-2H3,(H,28,35)(H,30,31)(H,32,36)
InChIKeyIRUWNNYWWQHBJX-UHFFFAOYSA-N
XLogP1.41
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.02
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 174036974
CID 174036974
CID 174036894
CID 174036894
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 166584824
CID 174037304
CID 174037304
CID 174036977
CID 174036977
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166585083
CID 174037330
CID 174037330
CID 174037303
CID 174037303
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(4-piperidin-1-ylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166585036
CID 174036918
CID 174036918
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-N-[4-(dimethylamino)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 166584816
CID 174037190
CID 174037190

Frequently Asked Questions

What is the IUPAC name of CID 174037318?
The IUPAC name of CID 174037318 (CID 174037318) is not available.
What is the SMILES notation for CID 174037318?
The canonical SMILES for CID 174037318 is [B]C([B])([B])NC(=O)c1nnccc1Nc1cccc(-c2ncc(C(=O)NCCC3CCCN3C)s2)c1OC.
What is the InChIKey of CID 174037318?
The InChIKey is IRUWNNYWWQHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26B3N7O3S/c1-34-12-4-5-14(34)8-10-28-21(35)18-13-29-23(38-18)15-6-3-7-17(20(15)37-2)31-16-9-11-30-33-19(16)22(36)32-24(25,26)27/h3,6-7,9,11,13-14H,4-5,8,10,12H2,1-2H3,(H,28,35)(H,30,31)(H,32,36).
What are the key properties of CID 174037318?
CID 174037318 has a molecular weight of 525.02 g/mol, XLogP of 1.41, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174037318 is sourced from PubChem (CID 174037318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).