5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine

C19H28N8 — CID 139310752

IUPAC5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine
SMILESCc1nc(N2CCc3c(c(C)nn3CCCCCN)C2)c2cnn(C)c2n1
InChIInChI=1S/C19H28N8/c1-13-16-12-26(10-7-17(16)27(24-13)9-6-4-5-8-20)19-15-11-21-25(3)18(15)22-14(2)23-19/h11H,4-10,12,20H2,1-3H3
InChIKeyFOWDIXZXYAXSQP-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.87
Rot. Bonds6

About 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine

5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine (PubChem CID 139310752) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine
PubChem CID139310752
Molecular FormulaC19H28N8
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC Name5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine
SMILESCc1nc(N2CCc3c(c(C)nn3CCCCCN)C2)c2cnn(C)c2n1
InChIInChI=1S/C19H28N8/c1-13-16-12-26(10-7-17(16)27(24-13)9-6-4-5-8-20)19-15-11-21-25(3)18(15)22-14(2)23-19/h11H,4-10,12,20H2,1-3H3
InChIKeyFOWDIXZXYAXSQP-UHFFFAOYSA-N
XLogP1.87
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine with MolForge

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Related Compounds

1,6-dimethyl-4-[3-methyl-1-[(4-piperidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyrazolo[5,4-d]pyrimidine
CID 138734556
N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide
CID 139311143
2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 56816073
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
3-(dimethylamino)-N-[5-[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]propanamide
CID 139311048
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
1-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-2-one
CID 142301160
1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 167916357
4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163350566
(2R)-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-methylbutanamide
CID 153072411
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704533
6-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-oxa-6-azaspiro[3.3]heptane
CID 134330536

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine?
The IUPAC name of 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine (CID 139310752) is 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine is Cc1nc(N2CCc3c(c(C)nn3CCCCCN)C2)c2cnn(C)c2n1.
What is the InChIKey of 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine?
The InChIKey is FOWDIXZXYAXSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8/c1-13-16-12-26(10-7-17(16)27(24-13)9-6-4-5-8-20)19-15-11-21-25(3)18(15)22-14(2)23-19/h11H,4-10,12,20H2,1-3H3.
What are the key properties of 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine?
5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine has a molecular weight of 368.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentan-1-amine is sourced from PubChem (CID 139310752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).