CID 174037207

C24H26B3N7O4 — CID 174037207

IUPAC—
SMILES[B]C([B])([B])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cc(C(C)(C)O)n(C)n2)c1OC
InChIInChI=1S/C24H26B3N7O4/c1-23(2,37)17-10-15(33-34(17)3)13-6-5-7-14(20(13)38-4)28-16-11-18(29-21(35)12-8-9-12)31-32-19(16)22(36)30-24(25,26)27/h5-7,10-12,37H,8-9H2,1-4H3,(H,30,36)(H2,28,29,31,35)
InChIKeyCALNAZBSKZNESZ-UHFFFAOYSA-N
MW508.95 g/mol
LogP1.05
Rot. Bonds9

About CID 174037207

CID 174037207 (PubChem CID 174037207) has the molecular formula C24H26B3N7O4 and a molecular weight of 508.95 g/mol.

Molecular Properties

Compound NameCID 174037207
PubChem CID174037207
Molecular FormulaC24H26B3N7O4
Molecular Weight508.95 g/mol
Exact Mass509.23
IUPAC Name—
SMILES[B]C([B])([B])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cc(C(C)(C)O)n(C)n2)c1OC
InChIInChI=1S/C24H26B3N7O4/c1-23(2,37)17-10-15(33-34(17)3)13-6-5-7-14(20(13)38-4)28-16-11-18(29-21(35)12-8-9-12)31-32-19(16)22(36)30-24(25,26)27/h5-7,10-12,37H,8-9H2,1-4H3,(H,30,36)(H2,28,29,31,35)
InChIKeyCALNAZBSKZNESZ-UHFFFAOYSA-N
XLogP1.05
TPSA143.29 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.95
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

CID 174037209
CID 174037209
CID 174036918
CID 174036918
CID 174037040
CID 174037040
CID 174037330
CID 174037330
CID 174037190
CID 174037190
CID 174037192
CID 174037192
CID 174037006
CID 174037006
6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 166171165
CID 174036894
CID 174036894
CID 174037066
CID 174037066

Frequently Asked Questions

What is the IUPAC name of CID 174037207?
The IUPAC name of CID 174037207 (CID 174037207) is not available.
What is the SMILES notation for CID 174037207?
The canonical SMILES for CID 174037207 is [B]C([B])([B])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cc(C(C)(C)O)n(C)n2)c1OC.
What is the InChIKey of CID 174037207?
The InChIKey is CALNAZBSKZNESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26B3N7O4/c1-23(2,37)17-10-15(33-34(17)3)13-6-5-7-14(20(13)38-4)28-16-11-18(29-21(35)12-8-9-12)31-32-19(16)22(36)30-24(25,26)27/h5-7,10-12,37H,8-9H2,1-4H3,(H,30,36)(H2,28,29,31,35).
What are the key properties of CID 174037207?
CID 174037207 has a molecular weight of 508.95 g/mol, XLogP of 1.05, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174037207 is sourced from PubChem (CID 174037207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).