[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

C23H31N5O — CID 136542265

IUPAC[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCN(C2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H31N5O/c29-23(21-16-24-28-10-5-4-8-22(21)28)27-14-12-26(13-15-27)20-9-11-25(18-20)17-19-6-2-1-3-7-19/h1-3,6-7,16,20H,4-5,8-15,17-18H2
InChIKeyNCIZWAPOZKKTIA-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.25
Rot. Bonds4

About [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 136542265) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID136542265
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCN(C2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H31N5O/c29-23(21-16-24-28-10-5-4-8-22(21)28)27-14-12-26(13-15-27)20-9-11-25(18-20)17-19-6-2-1-3-7-19/h1-3,6-7,16,20H,4-5,8-15,17-18H2
InChIKeyNCIZWAPOZKKTIA-UHFFFAOYSA-N
XLogP2.25
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56887001
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 86267037
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone
CID 136542264
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 84755578
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
2-fluoro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 107880814

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (CID 136542265) is [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is O=C(c1cnn2c1CCCC2)N1CCN(C2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is NCIZWAPOZKKTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c29-23(21-16-24-28-10-5-4-8-22(21)28)27-14-12-26(13-15-27)20-9-11-25(18-20)17-19-6-2-1-3-7-19/h1-3,6-7,16,20H,4-5,8-15,17-18H2.
What are the key properties of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 393.54 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 136542265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).