3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide

C22H23N5O — CID 70737714

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
SMILESO=C(NCc1cc2n(n1)CCNC2)c1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C22H23N5O/c28-22(24-12-19-11-21-13-23-8-9-27(21)25-19)16-6-3-7-20(10-16)26-14-17-4-1-2-5-18(17)15-26/h1-7,10-11,23H,8-9,12-15H2,(H,24,28)
InChIKeyCRQDHUURDJKLBC-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.44
Rot. Bonds4

About 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide

3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide (PubChem CID 70737714) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
PubChem CID70737714
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
SMILESO=C(NCc1cc2n(n1)CCNC2)c1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C22H23N5O/c28-22(24-12-19-11-21-13-23-8-9-27(21)25-19)16-6-3-7-20(10-16)26-14-17-4-1-2-5-18(17)15-26/h1-7,10-11,23H,8-9,12-15H2,(H,24,28)
InChIKeyCRQDHUURDJKLBC-UHFFFAOYSA-N
XLogP2.44
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride
CID 154896836
2-chloro-5-piperidin-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70719066
3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 137288333
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 70731987
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 70736280
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
CID 70720278
5-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 74238439
3-(1H-imidazol-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide;dihydrochloride
CID 154900753
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 154897116
1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50973577
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide
CID 96575320
5-(4-fluorophenyl)-2-hydroxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 167922139

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide (CID 70737714) is 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide is O=C(NCc1cc2n(n1)CCNC2)c1cccc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
The InChIKey is CRQDHUURDJKLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(24-12-19-11-21-13-23-8-9-27(21)25-19)16-6-3-7-20(10-16)26-14-17-4-1-2-5-18(17)15-26/h1-7,10-11,23H,8-9,12-15H2,(H,24,28).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide is sourced from PubChem (CID 70737714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).