[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate

C18H17N6O6P — CID 122638673

IUPAC[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
SMILESCn1cc(NC(=O)c2ccc(-c3cnn(COP(=O)(O)O)c3)o2)c(-c2ccccn2)n1
InChIInChI=1S/C18H17N6O6P/c1-23-10-14(17(22-23)13-4-2-3-7-19-13)21-18(25)16-6-5-15(30-16)12-8-20-24(9-12)11-29-31(26,27)28/h2-10H,11H2,1H3,(H,21,25)(H2,26,27,28)
InChIKeyVIYMNBMIHQZYHH-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.26
Rot. Bonds7

About [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate

[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate (PubChem CID 122638673) has the molecular formula C18H17N6O6P and a molecular weight of 444.34 g/mol. Its IUPAC name is [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
PubChem CID122638673
Molecular FormulaC18H17N6O6P
Molecular Weight444.34 g/mol
Exact Mass444.09
IUPAC Name[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
SMILESCn1cc(NC(=O)c2ccc(-c3cnn(COP(=O)(O)O)c3)o2)c(-c2ccccn2)n1
InChIInChI=1S/C18H17N6O6P/c1-23-10-14(17(22-23)13-4-2-3-7-19-13)21-18(25)16-6-5-15(30-16)12-8-20-24(9-12)11-29-31(26,27)28/h2-10H,11H2,1H3,(H,21,25)(H2,26,27,28)
InChIKeyVIYMNBMIHQZYHH-UHFFFAOYSA-N
XLogP2.26
TPSA157.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate?
The IUPAC name of [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate (CID 122638673) is [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate?
The canonical SMILES for [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate is Cn1cc(NC(=O)c2ccc(-c3cnn(COP(=O)(O)O)c3)o2)c(-c2ccccn2)n1.
What is the InChIKey of [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate?
The InChIKey is VIYMNBMIHQZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N6O6P/c1-23-10-14(17(22-23)13-4-2-3-7-19-13)21-18(25)16-6-5-15(30-16)12-8-20-24(9-12)11-29-31(26,27)28/h2-10H,11H2,1H3,(H,21,25)(H2,26,27,28).
What are the key properties of [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate?
[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate has a molecular weight of 444.34 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 122638673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).