5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C16H17N5O2 — CID 137127730

IUPAC5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H17N5O2/c22-15-11-5-1-2-6-13(11)21-14(20-15)12(9-18-21)16(23)19-10-4-3-7-17-8-10/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,19,23)(H,20,22)/t10-/m0/s1
InChIKeyAFFXFJFYLYUCMP-JTQLQIEISA-N
MW311.34 g/mol
LogP0.66
Rot. Bonds2

About 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 137127730) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID137127730
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H17N5O2/c22-15-11-5-1-2-6-13(11)21-14(20-15)12(9-18-21)16(23)19-10-4-3-7-17-8-10/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,19,23)(H,20,22)/t10-/m0/s1
InChIKeyAFFXFJFYLYUCMP-JTQLQIEISA-N
XLogP0.66
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
3-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135965959
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137199377
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 136942108
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
CID 136949456
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
N-piperidin-3-ylbenzamide
CID 22017045

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 137127730) is 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is O=C(N[C@H]1CCCNC1)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is AFFXFJFYLYUCMP-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15-11-5-1-2-6-13(11)21-14(20-15)12(9-18-21)16(23)19-10-4-3-7-17-8-10/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,19,23)(H,20,22)/t10-/m0/s1.
What are the key properties of 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 137127730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).