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

C25H35N5O3S — CID 45161504

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)CSc1ccccc1)CC2
InChIInChI=1S/C25H35N5O3S/c1-3-28-12-7-8-19(28)16-26-25(32)24-21-17-29(13-11-22(21)30(27-24)14-15-33-2)23(31)18-34-20-9-5-4-6-10-20/h4-6,9-10,19H,3,7-8,11-18H2,1-2H3,(H,26,32)
InChIKeyQBVNLKFBGSCGLX-UHFFFAOYSA-N
MW485.65 g/mol
LogP2.42
Rot. Bonds10

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45161504) has the molecular formula C25H35N5O3S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID45161504
Molecular FormulaC25H35N5O3S
Molecular Weight485.65 g/mol
Exact Mass485.25
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)CSc1ccccc1)CC2
InChIInChI=1S/C25H35N5O3S/c1-3-28-12-7-8-19(28)16-26-25(32)24-21-17-29(13-11-22(21)30(27-24)14-15-33-2)23(31)18-34-20-9-5-4-6-10-20/h4-6,9-10,19H,3,7-8,11-18H2,1-2H3,(H,26,32)
InChIKeyQBVNLKFBGSCGLX-UHFFFAOYSA-N
XLogP2.42
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-acetylthiophene-2-carbonyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143250
5-cyclobutyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45165107
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162773
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45159115
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223827
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 124938633
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45160581
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 97266069
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748660
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111261454
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9087740

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45161504) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)CSc1ccccc1)CC2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QBVNLKFBGSCGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3S/c1-3-28-12-7-8-19(28)16-26-25(32)24-21-17-29(13-11-22(21)30(27-24)14-15-33-2)23(31)18-34-20-9-5-4-6-10-20/h4-6,9-10,19H,3,7-8,11-18H2,1-2H3,(H,26,32).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-phenylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45161504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).