2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride

C16H20ClN5O — CID 82022580

IUPAC2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride
SMILESCCCN1CCc2nn(-c3nc4ccccc4o3)c(N)c2C1.Cl
InChIInChI=1S/C16H19N5O.ClH/c1-2-8-20-9-7-12-11(10-20)15(17)21(19-12)16-18-13-5-3-4-6-14(13)22-16;/h3-6H,2,7-10,17H2,1H3;1H
InChIKeyLVWHPZXSCBGHHD-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.79
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride

2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride (PubChem CID 82022580) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride
PubChem CID82022580
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride
SMILESCCCN1CCc2nn(-c3nc4ccccc4o3)c(N)c2C1.Cl
InChIInChI=1S/C16H19N5O.ClH/c1-2-8-20-9-7-12-11(10-20)15(17)21(19-12)16-18-13-5-3-4-6-14(13)22-16;/h3-6H,2,7-10,17H2,1H3;1H
InChIKeyLVWHPZXSCBGHHD-UHFFFAOYSA-N
XLogP2.79
TPSA73.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride with MolForge

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Related Compounds

5-propyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28903857
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-methyl-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907276
5-[3-(dimethylamino)propyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;dihydrochloride
CID 82022556
5-methyl-2-quinoxalin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907802
5-(3-methoxypropyl)-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28903869
2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline
CID 165347376
6-(1,3-benzoxazol-2-ylmethyl)-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944778
2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
5-ethyl-2-(6-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907724
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 23623279
4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403178

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride (CID 82022580) is 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride is CCCN1CCc2nn(-c3nc4ccccc4o3)c(N)c2C1.Cl.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
The InChIKey is LVWHPZXSCBGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O.ClH/c1-2-8-20-9-7-12-11(10-20)15(17)21(19-12)16-18-13-5-3-4-6-14(13)22-16;/h3-6H,2,7-10,17H2,1H3;1H.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride has a molecular weight of 333.82 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 82022580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).