N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide

C19H21N5O3S2 — CID 155881976

IUPACN-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide
SMILESCn1nc(CCNC(=O)c2cccnc2)c2c1CCN(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C19H21N5O3S2/c1-23-17-7-10-24(29(26,27)18-5-3-11-28-18)13-15(17)16(22-23)6-9-21-19(25)14-4-2-8-20-12-14/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,21,25)
InChIKeyJLQBZWLLNKYFBP-UHFFFAOYSA-N
MW431.54 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide

N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 155881976) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID155881976
Molecular FormulaC19H21N5O3S2
Molecular Weight431.54 g/mol
Exact Mass431.11
IUPAC NameN-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide
SMILESCn1nc(CCNC(=O)c2cccnc2)c2c1CCN(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C19H21N5O3S2/c1-23-17-7-10-24(29(26,27)18-5-3-11-28-18)13-15(17)16(22-23)6-9-21-19(25)14-4-2-8-20-12-14/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,21,25)
InChIKeyJLQBZWLLNKYFBP-UHFFFAOYSA-N
XLogP1.60
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 155881977
(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone
CID 53066774
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide
CID 155881922
3-methyl-7-thiophen-2-ylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999986
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088658
N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118880
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470
1-methyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97468890
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide (CID 155881976) is N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide is Cn1nc(CCNC(=O)c2cccnc2)c2c1CCN(S(=O)(=O)c1cccs1)C2.
What is the InChIKey of N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is JLQBZWLLNKYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c1-23-17-7-10-24(29(26,27)18-5-3-11-28-18)13-15(17)16(22-23)6-9-21-19(25)14-4-2-8-20-12-14/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,21,25).
What are the key properties of N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155881976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).