ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate

C16H15N7O6S — CID 75456361

IUPACethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[nH]n2ccnc12
InChIInChI=1S/C16H15N7O6S/c1-3-29-15(25)10-11(20-23-5-4-17-13(10)23)21-30(27,28)8-6-9-12(18-7-8)22(2)16(26)19-14(9)24/h4-7,20-21H,3H2,1-2H3,(H,19,24,26)
InChIKeyGETNOTLMCOLAHH-UHFFFAOYSA-N
MW433.41 g/mol
LogP-0.42
Rot. Bonds5

About ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate

ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate (PubChem CID 75456361) has the molecular formula C16H15N7O6S and a molecular weight of 433.41 g/mol. Its IUPAC name is ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
PubChem CID75456361
Molecular FormulaC16H15N7O6S
Molecular Weight433.41 g/mol
Exact Mass433.08
IUPAC Nameethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[nH]n2ccnc12
InChIInChI=1S/C16H15N7O6S/c1-3-29-15(25)10-11(20-23-5-4-17-13(10)23)21-30(27,28)8-6-9-12(18-7-8)22(2)16(26)19-14(9)24/h4-7,20-21H,3H2,1-2H3,(H,19,24,26)
InChIKeyGETNOTLMCOLAHH-UHFFFAOYSA-N
XLogP-0.42
TPSA173.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
CID 99783079
N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 119981185
4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660404
N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120664592
ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
CID 71852773
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120896389
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 120896388
2-(3-methyltriazol-4-yl)ethyl 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 167890316
1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 63772557
ethyl 6-(3-acetyloxypropyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
CID 146020984
1-phenylpropyl 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 167981393
N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 138044634

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The IUPAC name of ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate (CID 75456361) is ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate.
What is the SMILES notation for ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The canonical SMILES for ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[nH]n2ccnc12.
What is the InChIKey of ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The InChIKey is GETNOTLMCOLAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O6S/c1-3-29-15(25)10-11(20-23-5-4-17-13(10)23)21-30(27,28)8-6-9-12(18-7-8)22(2)16(26)19-14(9)24/h4-7,20-21H,3H2,1-2H3,(H,19,24,26).
What are the key properties of ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate has a molecular weight of 433.41 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate is sourced from PubChem (CID 75456361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).