1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine

C15H23N5 — CID 48933564

IUPAC1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCCCC1CCCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C15H23N5/c1-3-5-12-6-4-8-20(9-7-12)15-13-10-18-19(2)14(13)16-11-17-15/h10-12H,3-9H2,1-2H3
InChIKeyNLLWITJLJXBTCW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.77
Rot. Bonds3

About 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine

1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 48933564) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID48933564
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCCCC1CCCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C15H23N5/c1-3-5-12-6-4-8-20(9-7-12)15-13-10-18-19(2)14(13)16-11-17-15/h10-12H,3-9H2,1-2H3
InChIKeyNLLWITJLJXBTCW-UHFFFAOYSA-N
XLogP2.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
CID 62593364
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 86776323
1-methyl-4-(4-propylsulfonylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 86776347
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870068
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine (CID 48933564) is 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine is CCCC1CCCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is NLLWITJLJXBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-5-12-6-4-8-20(9-7-12)15-13-10-18-19(2)14(13)16-11-17-15/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine?
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 273.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 48933564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).