N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C16H17N5O2S — CID 166276297

IUPACN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc2c(c1C(=O)NCc1csc(-c3ccco3)n1)CNCC2
InChIInChI=1S/C16H17N5O2S/c1-21-14(11-8-17-5-4-12(11)20-21)15(22)18-7-10-9-24-16(19-10)13-3-2-6-23-13/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,18,22)
InChIKeyQSJXBEMCANYZSP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.71
Rot. Bonds4

About N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 166276297) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID166276297
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc2c(c1C(=O)NCc1csc(-c3ccco3)n1)CNCC2
InChIInChI=1S/C16H17N5O2S/c1-21-14(11-8-17-5-4-12(11)20-21)15(22)18-7-10-9-24-16(19-10)13-3-2-6-23-13/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,18,22)
InChIKeyQSJXBEMCANYZSP-UHFFFAOYSA-N
XLogP1.71
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide
CID 167819495
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
CID 43619497
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 166242880
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
CID 38636430
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716928
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 119813696

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 166276297) is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc2c(c1C(=O)NCc1csc(-c3ccco3)n1)CNCC2.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QSJXBEMCANYZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-21-14(11-8-17-5-4-12(11)20-21)15(22)18-7-10-9-24-16(19-10)13-3-2-6-23-13/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,18,22).
What are the key properties of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 166276297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).