N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C25H24N4O2S — CID 121049351

IUPACN-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1nn(Cc2ccccn2)c(=O)c2ccccc12)C1(c2cccs2)CCCC1
InChIInChI=1S/C25H24N4O2S/c30-23-20-10-2-1-9-19(20)21(28-29(23)17-18-8-3-6-14-26-18)16-27-24(31)25(12-4-5-13-25)22-11-7-15-32-22/h1-3,6-11,14-15H,4-5,12-13,16-17H2,(H,27,31)
InChIKeyNQPGIVKLJCSGKN-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.03
Rot. Bonds6

About N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 121049351) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID121049351
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1nn(Cc2ccccn2)c(=O)c2ccccc12)C1(c2cccs2)CCCC1
InChIInChI=1S/C25H24N4O2S/c30-23-20-10-2-1-9-19(20)21(28-29(23)17-18-8-3-6-14-26-18)16-27-24(31)25(12-4-5-13-25)22-11-7-15-32-22/h1-3,6-11,14-15H,4-5,12-13,16-17H2,(H,27,31)
InChIKeyNQPGIVKLJCSGKN-UHFFFAOYSA-N
XLogP4.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide with MolForge

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Related Compounds

1-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-3-propan-2-ylurea
CID 121049412
1-tert-butyl-3-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049375
2-benzylsulfanyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]acetamide
CID 121049267
ethyl N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]carbamate
CID 121049296
2-(2-chlorophenyl)-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]acetamide
CID 121049320
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71797639
5-chloro-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]thiophene-2-carboxamide
CID 121049360
2-benzoyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049142
N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 121049327
1-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]piperidine-3-carboxamide
CID 121049162
N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 121049286
5-oxo-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide
CID 121049298

Frequently Asked Questions

What is the IUPAC name of N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 121049351) is N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCc1nn(Cc2ccccn2)c(=O)c2ccccc12)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is NQPGIVKLJCSGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c30-23-20-10-2-1-9-19(20)21(28-29(23)17-18-8-3-6-14-26-18)16-27-24(31)25(12-4-5-13-25)22-11-7-15-32-22/h1-3,6-11,14-15H,4-5,12-13,16-17H2,(H,27,31).
What are the key properties of N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 121049351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).