3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C21H29N7 — CID 70806616

IUPAC3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCc1cnn2c(NCc3cccnc3)cc(NCCCN3CCCCC3)nc12
InChIInChI=1S/C21H29N7/c1-17-14-25-28-20(24-16-18-7-5-8-22-15-18)13-19(26-21(17)28)23-9-6-12-27-10-3-2-4-11-27/h5,7-8,13-15,24H,2-4,6,9-12,16H2,1H3,(H,23,26)
InChIKeyFMPXMJLOUQTMCQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.33
Rot. Bonds8

About 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 70806616) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID70806616
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC Name3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCc1cnn2c(NCc3cccnc3)cc(NCCCN3CCCCC3)nc12
InChIInChI=1S/C21H29N7/c1-17-14-25-28-20(24-16-18-7-5-8-22-15-18)13-19(26-21(17)28)23-9-6-12-27-10-3-2-4-11-27/h5,7-8,13-15,24H,2-4,6,9-12,16H2,1H3,(H,23,26)
InChIKeyFMPXMJLOUQTMCQ-UHFFFAOYSA-N
XLogP3.33
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 89056168
CID 89056168
CID 89365529
CID 89365529
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090637
3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
CID 143440446
CID 88986825
CID 88986825
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
CID 11292240
ethanol;3-ethyl-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145499610
CID 89056124
CID 89056124
CID 89056038
CID 89056038
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
CID 70878905
CID 70878905

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 70806616) is 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is Cc1cnn2c(NCc3cccnc3)cc(NCCCN3CCCCC3)nc12.
What is the InChIKey of 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is FMPXMJLOUQTMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-17-14-25-28-20(24-16-18-7-5-8-22-15-18)13-19(26-21(17)28)23-9-6-12-27-10-3-2-4-11-27/h5,7-8,13-15,24H,2-4,6,9-12,16H2,1H3,(H,23,26).
What are the key properties of 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 379.51 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 70806616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).