4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one

C17H17N7O — CID 136962724

IUPAC4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-n4ccnn4)c3c2[nH]1
InChIInChI=1S/C17H17N7O/c25-15-10-14(11-4-6-18-7-5-11)24-17(20-15)16-12(21-24)2-1-3-13(16)23-9-8-19-22-23/h1-3,8-11,18H,4-7H2,(H,20,25)
InChIKeyYDNXTICCLATOHH-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.22
Rot. Bonds2

About 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one

4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962724) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962724
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-n4ccnn4)c3c2[nH]1
InChIInChI=1S/C17H17N7O/c25-15-10-14(11-4-6-18-7-5-11)24-17(20-15)16-12(21-24)2-1-3-13(16)23-9-8-19-22-23/h1-3,8-11,18H,4-7H2,(H,20,25)
InChIKeyYDNXTICCLATOHH-UHFFFAOYSA-N
XLogP1.22
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962723
tert-butyl 4-[2-oxo-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 136962702
10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 137053840
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 137053923
3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one
CID 137053877
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
ethane;4-piperidin-4-yl-10-thiophen-3-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 144841598
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
CID 137066471
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066358

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one (CID 136962724) is 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3cccc(-n4ccnn4)c3c2[nH]1.
What is the InChIKey of 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is YDNXTICCLATOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c25-15-10-14(11-4-6-18-7-5-11)24-17(20-15)16-12(21-24)2-1-3-13(16)23-9-8-19-22-23/h1-3,8-11,18H,4-7H2,(H,20,25).
What are the key properties of 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one?
4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 335.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).