N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C21H32N6O2S — CID 26138590

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1nccs1)CC2
InChIInChI=1S/C21H32N6O2S/c1-3-26-8-4-5-16(26)13-23-21(28)20-17-14-25(15-19-22-7-12-30-19)9-6-18(17)27(24-20)10-11-29-2/h7,12,16H,3-6,8-11,13-15H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyYQQFDGLOMILHOJ-INIZCTEOSA-N
MW432.59 g/mol
LogP1.76
Rot. Bonds9

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138590) has the molecular formula C21H32N6O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26138590
Molecular FormulaC21H32N6O2S
Molecular Weight432.59 g/mol
Exact Mass432.23
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1nccs1)CC2
InChIInChI=1S/C21H32N6O2S/c1-3-26-8-4-5-16(26)13-23-21(28)20-17-14-25(15-19-22-7-12-30-19)9-6-18(17)27(24-20)10-11-29-2/h7,12,16H,3-6,8-11,13-15H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyYQQFDGLOMILHOJ-INIZCTEOSA-N
XLogP1.76
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-1-isobutyl-5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26146434
1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52095472
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97381235
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
1-benzyl-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26135829
1-benzyl-5-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26144491
(2-Methylpyrrolidin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155840824
N-cyclopentyl-1-isobutyl-5-(1,3-thiazol-5-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26136240
5-(1-cyclohexen-1-ylacetyl)-1-(cyclopropylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138553
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45161179

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138590) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1nccs1)CC2.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is YQQFDGLOMILHOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H32N6O2S/c1-3-26-8-4-5-16(26)13-23-21(28)20-17-14-25(15-19-22-7-12-30-19)9-6-18(17)27(24-20)10-11-29-2/h7,12,16H,3-6,8-11,13-15H2,1-2H3,(H,23,28)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).