N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride

C15H20ClN7 — CID 154920827

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
SMILESCN(Cc1n[nH]c2c1CCCCC2)c1ncc2cn[nH]c2n1.Cl
InChIInChI=1S/C15H19N7.ClH/c1-22(15-16-7-10-8-17-21-14(10)18-15)9-13-11-5-3-2-4-6-12(11)19-20-13;/h7-8H,2-6,9H2,1H3,(H,19,20)(H,16,17,18,21);1H
InChIKeyGKGRWENNHLXSCA-UHFFFAOYSA-N
MW333.83 g/mol
LogP2.40
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride (PubChem CID 154920827) has the molecular formula C15H20ClN7 and a molecular weight of 333.83 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
PubChem CID154920827
Molecular FormulaC15H20ClN7
Molecular Weight333.83 g/mol
Exact Mass333.15
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
SMILESCN(Cc1n[nH]c2c1CCCCC2)c1ncc2cn[nH]c2n1.Cl
InChIInChI=1S/C15H19N7.ClH/c1-22(15-16-7-10-8-17-21-14(10)18-15)9-13-11-5-3-2-4-6-12(11)19-20-13;/h7-8H,2-6,9H2,1H3,(H,19,20)(H,16,17,18,21);1H
InChIKeyGKGRWENNHLXSCA-UHFFFAOYSA-N
XLogP2.40
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride with MolForge

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Related Compounds

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CID 50968501
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxypyrimidin-5-yl)-N-methylmethanamine
CID 131917395
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
2-[[5-[[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]methyl]pyrimidin-2-yl]amino]acetic acid
CID 122557550
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 56722576
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 50953300
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 137341870
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125445973
3-(2,2-dimethylpropyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole
CID 59453579
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
CID 62113034
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CID 91842438

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride (CID 154920827) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride is CN(Cc1n[nH]c2c1CCCCC2)c1ncc2cn[nH]c2n1.Cl.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
The InChIKey is GKGRWENNHLXSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7.ClH/c1-22(15-16-7-10-8-17-21-14(10)18-15)9-13-11-5-3-2-4-6-12(11)19-20-13;/h7-8H,2-6,9H2,1H3,(H,19,20)(H,16,17,18,21);1H.
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride has a molecular weight of 333.83 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride is sourced from PubChem (CID 154920827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).