CID 59853638

C15H12BN5O2 — CID 59853638

IUPAC—
SMILES[B]NC(=O)c1cccc(Nc2ncnn3cc(C=O)c(C)c23)c1
InChIInChI=1S/C15H12BN5O2/c1-9-11(7-22)6-21-13(9)14(17-8-18-21)19-12-4-2-3-10(5-12)15(23)20-16/h2-8H,1H3,(H,20,23)(H,17,18,19)
InChIKeyZVIRUZASNIAMCN-UHFFFAOYSA-N
MW305.11 g/mol
LogP1.41
Rot. Bonds4

About CID 59853638

CID 59853638 (PubChem CID 59853638) has the molecular formula C15H12BN5O2 and a molecular weight of 305.11 g/mol.

Molecular Properties

Compound NameCID 59853638
PubChem CID59853638
Molecular FormulaC15H12BN5O2
Molecular Weight305.11 g/mol
Exact Mass305.11
IUPAC Name—
SMILES[B]NC(=O)c1cccc(Nc2ncnn3cc(C=O)c(C)c23)c1
InChIInChI=1S/C15H12BN5O2/c1-9-11(7-22)6-21-13(9)14(17-8-18-21)19-12-4-2-3-10(5-12)15(23)20-16/h2-8H,1H3,(H,20,23)(H,17,18,19)
InChIKeyZVIRUZASNIAMCN-UHFFFAOYSA-N
XLogP1.41
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine
CID 142846909
N-ethyl-5-methyl-4-[2-methyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780485
4-[5-[(3-fluorobenzoyl)amino]-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 59853632
4-(5-amino-2-methylanilino)-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24755389
methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 142661738
N-(2-methoxyethyl)-5-methyl-4-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780576
3-[[5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 118018764
methyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755186
methyl N-[4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 24755251
methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 23589623
4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780436
5-methyl-4-[2-methyl-5-[[3-(trifluoromethoxy)benzoyl]amino]anilino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780445

Frequently Asked Questions

What is the IUPAC name of CID 59853638?
The IUPAC name of CID 59853638 (CID 59853638) is not available.
What is the SMILES notation for CID 59853638?
The canonical SMILES for CID 59853638 is [B]NC(=O)c1cccc(Nc2ncnn3cc(C=O)c(C)c23)c1.
What is the InChIKey of CID 59853638?
The InChIKey is ZVIRUZASNIAMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BN5O2/c1-9-11(7-22)6-21-13(9)14(17-8-18-21)19-12-4-2-3-10(5-12)15(23)20-16/h2-8H,1H3,(H,20,23)(H,17,18,19).
What are the key properties of CID 59853638?
CID 59853638 has a molecular weight of 305.11 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59853638 is sourced from PubChem (CID 59853638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).