N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide

C24H25N5O2 — CID 90490374

IUPACN-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H25N5O2/c30-23(21-15-17-7-1-4-10-20(17)26-21)25-16-22-18-8-2-3-9-19(18)24(31)29(27-22)14-13-28-11-5-6-12-28/h1-4,7-10,15,26H,5-6,11-14,16H2,(H,25,30)
InChIKeyZMBCIWUFZRXNNH-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.90
Rot. Bonds6

About N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide

N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 90490374) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide
PubChem CID90490374
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H25N5O2/c30-23(21-15-17-7-1-4-10-20(17)26-21)25-16-22-18-8-2-3-9-19(18)24(31)29(27-22)14-13-28-11-5-6-12-28/h1-4,7-10,15,26H,5-6,11-14,16H2,(H,25,30)
InChIKeyZMBCIWUFZRXNNH-UHFFFAOYSA-N
XLogP2.90
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 90490390
3-chloro-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]propanamide
CID 90490433
N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 90490531
2-(4-methoxyphenyl)-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]acetamide
CID 90490498
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
3-cyano-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]benzamide
CID 71779399
5-oxo-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]pyrrolidine-2-carboxamide
CID 90490368
1-cyclohexyl-3-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]urea
CID 90490574
3-chloro-2,2-dimethyl-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]propanamide
CID 90490436
4-(dimethylsulfamoyl)-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]benzamide
CID 90490510
1-(3-chlorophenyl)-3-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]urea
CID 90490576
N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 90490571

Frequently Asked Questions

What is the IUPAC name of N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide (CID 90490374) is N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide is O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ZMBCIWUFZRXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23(21-15-17-7-1-4-10-20(17)26-21)25-16-22-18-8-2-3-9-19(18)24(31)29(27-22)14-13-28-11-5-6-12-28/h1-4,7-10,15,26H,5-6,11-14,16H2,(H,25,30).
What are the key properties of N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide?
N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90490374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).