formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)

C97H99N35O21P2S5-2 — CID 158241921

IUPACformic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)
SMILESCOCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3C)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2csc(-c3cnn(COP(=O)([O-])O)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2csc(-c3cnn(COP(=O)([O-])O)c3)n2)c(-c2ccccn2)n1.O=CO
InChIInChI=1S/2C21H23N7O3S.C20H21N7O3S.2C17H16N7O5PS.CH2O2/c2*1-14-15(11-23-26-14)21-25-18(13-32-21)20(29)24-17-12-28(7-8-31-10-9-30-2)27-19(17)16-5-3-4-6-22-16;1-29-8-9-30-7-6-27-12-16(18(26-27)15-4-2-3-5-21-15)24-19(28)17-13-31-20(25-17)14-10-22-23-11-14;2*1-23-8-13(15(22-23)12-4-2-3-5-18-12)20-16(25)14-9-31-17(21-14)11-6-19-24(7-11)10-29-30(26,27)28;2-1-3/h2*3-6,11-13H,7-10H2,1-2H3,(H,23,26)(H,24,29);2-5,10-13H,6-9H2,1H3,(H,22,23)(H,24,28);2*2-9H,10H2,1H3,(H,20,25)(H2,26,27,28);1H,(H,2,3)/p-2
InChIKeyGFQJPDGSYVPBEH-UHFFFAOYSA-L
MW2313.37 g/mol
LogP11.42
Rot. Bonds44

About formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)

formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate) (PubChem CID 158241921) has the molecular formula C97H99N35O21P2S5-2 and a molecular weight of 2313.37 g/mol. Its IUPAC name is formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate).

Molecular Properties

Compound Nameformic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)
PubChem CID158241921
Molecular FormulaC97H99N35O21P2S5-2
Molecular Weight2313.37 g/mol
Exact Mass2311.58
IUPAC Nameformic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)
SMILESCOCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3C)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2csc(-c3cnn(COP(=O)([O-])O)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2csc(-c3cnn(COP(=O)([O-])O)c3)n2)c(-c2ccccn2)n1.O=CO
InChIInChI=1S/2C21H23N7O3S.C20H21N7O3S.2C17H16N7O5PS.CH2O2/c2*1-14-15(11-23-26-14)21-25-18(13-32-21)20(29)24-17-12-28(7-8-31-10-9-30-2)27-19(17)16-5-3-4-6-22-16;1-29-8-9-30-7-6-27-12-16(18(26-27)15-4-2-3-5-21-15)24-19(28)17-13-31-20(25-17)14-10-22-23-11-14;2*1-23-8-13(15(22-23)12-4-2-3-5-18-12)20-16(25)14-9-31-17(21-14)11-6-19-24(7-11)10-29-30(26,27)28;2-1-3/h2*3-6,11-13H,7-10H2,1-2H3,(H,23,26)(H,24,29);2-5,10-13H,6-9H2,1H3,(H,22,23)(H,24,28);2*2-9H,10H2,1H3,(H,20,25)(H2,26,27,28);1H,(H,2,3)/p-2
InChIKeyGFQJPDGSYVPBEH-UHFFFAOYSA-L
XLogP11.42
TPSA717.04 Ų
H-Bond Donors11
H-Bond Acceptors50
Rotatable Bonds44
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002313.37
LogP ≤ 511.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate) with MolForge

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

Launch Full Analysis

Related Compounds

disodium;[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl phosphate
CID 140749503
tris[[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl] phosphate
CID 122638481
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638677
[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methylphosphonous acid
CID 145176662
N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638750
formic acid;N-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638719
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-[1-[(2-oxo-1,3-dioxol-4-yl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 122650249
2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone
CID 135251791
N-[1-[(1S,3R)-3-ethoxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid
CID 122638764
N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 171600710

Frequently Asked Questions

What is the IUPAC name of formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)?
The IUPAC name of formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate) (CID 158241921) is formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate).
What is the SMILES notation for formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)?
The canonical SMILES for formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate) is COCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3C)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2csc(-c3cnn(COP(=O)([O-])O)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2csc(-c3cnn(COP(=O)([O-])O)c3)n2)c(-c2ccccn2)n1.O=CO.
What is the InChIKey of formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)?
The InChIKey is GFQJPDGSYVPBEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H23N7O3S.C20H21N7O3S.2C17H16N7O5PS.CH2O2/c2*1-14-15(11-23-26-14)21-25-18(13-32-21)20(29)24-17-12-28(7-8-31-10-9-30-2)27-19(17)16-5-3-4-6-22-16;1-29-8-9-30-7-6-27-12-16(18(26-27)15-4-2-3-5-21-15)24-19(28)17-13-31-20(25-17)14-10-22-23-11-14;2*1-23-8-13(15(22-23)12-4-2-3-5-18-12)20-16(25)14-9-31-17(21-14)11-6-19-24(7-11)10-29-30(26,27)28;2-1-3/h2*3-6,11-13H,7-10H2,1-2H3,(H,23,26)(H,24,29);2-5,10-13H,6-9H2,1H3,(H,22,23)(H,24,28);2*2-9H,10H2,1H3,(H,20,25)(H2,26,27,28);1H,(H,2,3)/p-2.
What are the key properties of formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)?
formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate) has a molecular weight of 2313.37 g/mol, XLogP of 11.42, 44 rotatable bonds, 11 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate) is sourced from PubChem (CID 158241921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).