N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide

C24H27N5O2S — CID 26219968

IUPACN-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)s1
InChIInChI=1S/C24H27N5O2S/c1-16(30)25-22-8-7-19(32-22)14-28-11-10-21-20(15-28)23(26-27(21)2)24(31)29-12-9-17-5-3-4-6-18(17)13-29/h3-8H,9-15H2,1-2H3,(H,25,30)
InChIKeyBOXMKTGFXMSJOH-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.20
Rot. Bonds4

About N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide

N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide (PubChem CID 26219968) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide
PubChem CID26219968
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)s1
InChIInChI=1S/C24H27N5O2S/c1-16(30)25-22-8-7-19(32-22)14-28-11-10-21-20(15-28)23(26-27(21)2)24(31)29-12-9-17-5-3-4-6-18(17)13-29/h3-8H,9-15H2,1-2H3,(H,25,30)
InChIKeyBOXMKTGFXMSJOH-UHFFFAOYSA-N
XLogP3.20
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide with MolForge

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Related Compounds

3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one
CID 26226543
ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136511
methyl 3-[[5-[(5-acetamidothiophen-2-yl)methyl]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
CID 26146825
3,4-dihydro-1H-isoquinolin-2-yl-[(5R)-1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26215160
3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45165339
1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 50831030
[5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 45160032
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 5087204
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-[methyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45164303
1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933303

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide (CID 26219968) is N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc(CN2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)s1.
What is the InChIKey of N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide?
The InChIKey is BOXMKTGFXMSJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-16(30)25-22-8-7-19(32-22)14-28-11-10-21-20(15-28)23(26-27(21)2)24(31)29-12-9-17-5-3-4-6-18(17)13-29/h3-8H,9-15H2,1-2H3,(H,25,30).
What are the key properties of N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide?
N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide has a molecular weight of 449.58 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 26219968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).