N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine

C21H28N6 — CID 166871134

IUPACN'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1cc2nccc(C3CCCN(Cc4ccccc4)C3)n2n1
InChIInChI=1S/C21H28N6/c1-25(13-10-22)21-14-20-23-11-9-19(27(20)24-21)18-8-5-12-26(16-18)15-17-6-3-2-4-7-17/h2-4,6-7,9,11,14,18H,5,8,10,12-13,15-16,22H2,1H3
InChIKeySMVXOQNSUCRDDM-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.50
Rot. Bonds6

About N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine

N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 166871134) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
PubChem CID166871134
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1cc2nccc(C3CCCN(Cc4ccccc4)C3)n2n1
InChIInChI=1S/C21H28N6/c1-25(13-10-22)21-14-20-23-11-9-19(27(20)24-21)18-8-5-12-26(16-18)15-17-6-3-2-4-7-17/h2-4,6-7,9,11,14,18H,5,8,10,12-13,15-16,22H2,1H3
InChIKeySMVXOQNSUCRDDM-UHFFFAOYSA-N
XLogP2.50
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]boronic acid
CID 167436094
7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871227
7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 166871451
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-N-methyl-1-phenylmethanamine
CID 166871454
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871452
7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 166871092
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104
7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 175378504
5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706

Frequently Asked Questions

What is the IUPAC name of N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine (CID 166871134) is N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine is CN(CCN)c1cc2nccc(C3CCCN(Cc4ccccc4)C3)n2n1.
What is the InChIKey of N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is SMVXOQNSUCRDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-25(13-10-22)21-14-20-23-11-9-19(27(20)24-21)18-8-5-12-26(16-18)15-17-6-3-2-4-7-17/h2-4,6-7,9,11,14,18H,5,8,10,12-13,15-16,22H2,1H3.
What are the key properties of N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 364.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 166871134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).