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

C17H18ClN7O — CID 136962723

IUPAC4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3cccc(-n4ccnn4)c3c2[nH]1
InChIInChI=1S/C17H17N7O.ClH/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);1H
InChIKeyYIISGPOQKJOKEP-UHFFFAOYSA-N
MW371.83 g/mol
LogP1.65
Rot. Bonds2

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

4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (PubChem CID 136962723) has the molecular formula C17H18ClN7O and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
PubChem CID136962723
Molecular FormulaC17H18ClN7O
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC Name4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3cccc(-n4ccnn4)c3c2[nH]1
InChIInChI=1S/C17H17N7O.ClH/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);1H
InChIKeyYIISGPOQKJOKEP-UHFFFAOYSA-N
XLogP1.65
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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;hydrochloride?
The IUPAC name of 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (CID 136962723) is 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The canonical SMILES for 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is YIISGPOQKJOKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O.ClH/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);1H.
What are the key properties of 4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride has a molecular weight of 371.83 g/mol, XLogP of 1.65, 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;hydrochloride is sourced from PubChem (CID 136962723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).