6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

C13H18ClN5 — CID 83056224

IUPAC6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCCCC1CCCCN1c1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C13H18ClN5/c1-2-5-9-6-3-4-7-19(9)12-10-8-15-18-11(10)16-13(14)17-12/h8-9H,2-7H2,1H3,(H,15,16,17,18)
InChIKeySSKDBHRDSFGPFX-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.17
Rot. Bonds3

About 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 83056224) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID83056224
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCCCC1CCCCN1c1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C13H18ClN5/c1-2-5-9-6-3-4-7-19(9)12-10-8-15-18-11(10)16-13(14)17-12/h8-9H,2-7H2,1H3,(H,15,16,17,18)
InChIKeySSKDBHRDSFGPFX-UHFFFAOYSA-N
XLogP3.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314
N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 104693017
5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
CID 83056222
[1-[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640694
4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885486
4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133376968
2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562832
N-methyl-1-[2-(2-propylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 83045362
3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126
2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline
CID 22693293
2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
CID 83046088
N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402563

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 83056224) is 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is CCCC1CCCCN1c1nc(Cl)nc2[nH]ncc12.
What is the InChIKey of 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is SSKDBHRDSFGPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-2-5-9-6-3-4-7-19(9)12-10-8-15-18-11(10)16-13(14)17-12/h8-9H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 279.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 83056224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).