methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C17H21N5O3S — CID 50984940

IUPACmethyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CN2CCc3[nH]nc(C4CC4)c3C2)nc1C
InChIInChI=1S/C17H21N5O3S/c1-9-15(16(24)25-2)26-17(18-9)19-13(23)8-22-6-5-12-11(7-22)14(21-20-12)10-3-4-10/h10H,3-8H2,1-2H3,(H,20,21)(H,18,19,23)
InChIKeyNDQQTKVNJXTCEZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.84
Rot. Bonds5

About methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 50984940) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID50984940
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Namemethyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CN2CCc3[nH]nc(C4CC4)c3C2)nc1C
InChIInChI=1S/C17H21N5O3S/c1-9-15(16(24)25-2)26-17(18-9)19-13(23)8-22-6-5-12-11(7-22)14(21-20-12)10-3-4-10/h10H,3-8H2,1-2H3,(H,20,21)(H,18,19,23)
InChIKeyNDQQTKVNJXTCEZ-UHFFFAOYSA-N
XLogP1.84
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 50984940) is methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)CN2CCc3[nH]nc(C4CC4)c3C2)nc1C.
What is the InChIKey of methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NDQQTKVNJXTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-9-15(16(24)25-2)26-17(18-9)19-13(23)8-22-6-5-12-11(7-22)14(21-20-12)10-3-4-10/h10H,3-8H2,1-2H3,(H,20,21)(H,18,19,23).
What are the key properties of methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 50984940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).