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

C18H17N6O6P — CID 172843695

IUPACmethyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate
SMILESCOP(=O)(O)On1cc(-c2ccc(C(=O)Nc3cn(C)nc3-c3ccccn3)o2)cn1
InChIInChI=1S/C18H17N6O6P/c1-23-11-14(17(22-23)13-5-3-4-8-19-13)21-18(25)16-7-6-15(29-16)12-9-20-24(10-12)30-31(26,27)28-2/h3-11H,1-2H3,(H,21,25)(H,26,27)
InChIKeyMWIKZIOCWDACGW-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.37
Rot. Bonds7

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

methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate (PubChem CID 172843695) has the molecular formula C18H17N6O6P and a molecular weight of 444.34 g/mol. Its IUPAC name is methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate.

Molecular Properties

Compound Namemethyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate
PubChem CID172843695
Molecular FormulaC18H17N6O6P
Molecular Weight444.34 g/mol
Exact Mass444.09
IUPAC Namemethyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate
SMILESCOP(=O)(O)On1cc(-c2ccc(C(=O)Nc3cn(C)nc3-c3ccccn3)o2)cn1
InChIInChI=1S/C18H17N6O6P/c1-23-11-14(17(22-23)13-5-3-4-8-19-13)21-18(25)16-7-6-15(29-16)12-9-20-24(10-12)30-31(26,27)28-2/h3-11H,1-2H3,(H,21,25)(H,26,27)
InChIKeyMWIKZIOCWDACGW-UHFFFAOYSA-N
XLogP2.37
TPSA146.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 122638673
tris[[4-[5-[[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl] phosphate
CID 122638556
tert-butyl [4-[5-[[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl hydrogen phosphate
CID 122644464
ditert-butyl [4-[5-[[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl phosphate
CID 122644455
azane;[4-[4-[[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl] methyl hydrogen phosphate
CID 175199920
N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 135258042
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450198
tris[[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl] phosphate
CID 122638481
tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);5-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 158413605
N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638639
5-fluoro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide
CID 167847189

Frequently Asked Questions

What is the IUPAC name of methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate?
The IUPAC name of methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate (CID 172843695) is methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate.
What is the SMILES notation for methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate?
The canonical SMILES for methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate is COP(=O)(O)On1cc(-c2ccc(C(=O)Nc3cn(C)nc3-c3ccccn3)o2)cn1.
What is the InChIKey of methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate?
The InChIKey is MWIKZIOCWDACGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N6O6P/c1-23-11-14(17(22-23)13-5-3-4-8-19-13)21-18(25)16-7-6-15(29-16)12-9-20-24(10-12)30-31(26,27)28-2/h3-11H,1-2H3,(H,21,25)(H,26,27).
What are the key properties of methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate?
methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate has a molecular weight of 444.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate is sourced from PubChem (CID 172843695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).