3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C17H19N5O2 — CID 135925381

IUPAC3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESNCC1CCCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1
InChIInChI=1S/C17H19N5O2/c18-8-11-4-3-7-21(10-11)17(24)13-9-19-22-14-6-2-1-5-12(14)16(23)20-15(13)22/h1-2,5-6,9,11H,3-4,7-8,10,18H2,(H,20,23)
InChIKeyIBIMEUXLFVLAFS-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.99
Rot. Bonds2

About 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135925381) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135925381
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESNCC1CCCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1
InChIInChI=1S/C17H19N5O2/c18-8-11-4-3-7-21(10-11)17(24)13-9-19-22-14-6-2-1-5-12(14)16(23)20-15(13)22/h1-2,5-6,9,11H,3-4,7-8,10,18H2,(H,20,23)
InChIKeyIBIMEUXLFVLAFS-UHFFFAOYSA-N
XLogP0.99
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375
3-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135965959
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 136942108
3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137127774
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137127730
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
CID 167990829

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135925381) is 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is NCC1CCCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1.
What is the InChIKey of 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is IBIMEUXLFVLAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c18-8-11-4-3-7-21(10-11)17(24)13-9-19-22-14-6-2-1-5-12(14)16(23)20-15(13)22/h1-2,5-6,9,11H,3-4,7-8,10,18H2,(H,20,23).
What are the key properties of 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 325.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135925381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).