6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C17H24N4S — CID 97404941

IUPAC6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)s1
InChIInChI=1S/C17H24N4S/c1-13-4-5-14(22-13)10-21-9-6-15-16(18-19-17(15)12-21)11-20-7-2-3-8-20/h4-5H,2-3,6-12H2,1H3,(H,18,19)
InChIKeyHCZVSJQVPVJCPL-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.93
Rot. Bonds4

About 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 97404941) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID97404941
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)s1
InChIInChI=1S/C17H24N4S/c1-13-4-5-14(22-13)10-21-9-6-15-16(18-19-17(15)12-21)11-20-7-2-3-8-20/h4-5H,2-3,6-12H2,1H3,(H,18,19)
InChIKeyHCZVSJQVPVJCPL-UHFFFAOYSA-N
XLogP2.93
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56714764
N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 97516791
N,N-dimethyl-1-[6-[(5-methylthiophen-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 97516793
Sdccgsbi-0115213.P001
CID 28731916
5-cyclobutyl-3-(2-thienylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine trifluoroacetate
CID 29001496
3-(2-fluorophenyl)-5-(3-thienylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29087283
3-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N-(2-thienylmethyl)propanamide
CID 91830703
N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745845
N,N-dimethyl-1-[6-[(5-methylthiophen-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745846
6-[(5-Methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118745847
1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 131896293
N-methyl-1-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-N-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}methanamine
CID 131945600

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 97404941) is 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is Cc1ccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)s1.
What is the InChIKey of 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is HCZVSJQVPVJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-13-4-5-14(22-13)10-21-9-6-15-16(18-19-17(15)12-21)11-20-7-2-3-8-20/h4-5H,2-3,6-12H2,1H3,(H,18,19).
What are the key properties of 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 316.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97404941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).