5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine

C20H22N6S2 — CID 143441362

IUPAC5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
SMILESNc1cc(N2CCCC2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12
InChIInChI=1S/C20H22N6S2/c21-18-11-19(24-7-1-2-8-24)23-20-17(12-22-26(18)20)25(13-15-5-3-9-27-15)14-16-6-4-10-28-16/h3-6,9-12H,1-2,7-8,13-14,21H2
InChIKeyDRVWSTVCJVUUCP-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.24
Rot. Bonds6

About 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine

5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine (PubChem CID 143441362) has the molecular formula C20H22N6S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
PubChem CID143441362
Molecular FormulaC20H22N6S2
Molecular Weight410.57 g/mol
Exact Mass410.13
IUPAC Name5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
SMILESNc1cc(N2CCCC2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12
InChIInChI=1S/C20H22N6S2/c21-18-11-19(24-7-1-2-8-24)23-20-17(12-22-26(18)20)25(13-15-5-3-9-27-15)14-16-6-4-10-28-16/h3-6,9-12H,1-2,7-8,13-14,21H2
InChIKeyDRVWSTVCJVUUCP-UHFFFAOYSA-N
XLogP4.24
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155
5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 25110719
2-Phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127035004
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440
8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250193
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250194
US9096589, 5,7-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53252086

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine?
The IUPAC name of 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine (CID 143441362) is 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine.
What is the SMILES notation for 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine?
The canonical SMILES for 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine is Nc1cc(N2CCCC2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.
What is the InChIKey of 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine?
The InChIKey is DRVWSTVCJVUUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6S2/c21-18-11-19(24-7-1-2-8-24)23-20-17(12-22-26(18)20)25(13-15-5-3-9-27-15)14-16-6-4-10-28-16/h3-6,9-12H,1-2,7-8,13-14,21H2.
What are the key properties of 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine?
5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine has a molecular weight of 410.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine is sourced from PubChem (CID 143441362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).