1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C19H25N7 — CID 70730566

IUPAC1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCN(Cc3ccccn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H25N7/c1-3-6-17-22-18-16(13-21-24(18)2)19(23-17)26-11-9-25(10-12-26)14-15-7-4-5-8-20-15/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyBZYPYMJGQVYYRD-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.03
Rot. Bonds5

About 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 70730566) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID70730566
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCN(Cc3ccccn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H25N7/c1-3-6-17-22-18-16(13-21-24(18)2)19(23-17)26-11-9-25(10-12-26)14-15-7-4-5-8-20-15/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyBZYPYMJGQVYYRD-UHFFFAOYSA-N
XLogP2.03
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 70730566) is 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is CCCc1nc(N2CCN(Cc3ccccn3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is BZYPYMJGQVYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-3-6-17-22-18-16(13-21-24(18)2)19(23-17)26-11-9-25(10-12-26)14-15-7-4-5-8-20-15/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3.
What are the key properties of 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 351.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 70730566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).