6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C21H28N6O — CID 56902182

IUPAC6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC(OCc4cccnc4)CC3)nc(C(C)(C)C)nc21
InChIInChI=1S/C21H28N6O/c1-21(2,3)20-24-18-17(13-23-26(18)4)19(25-20)27-10-7-16(8-11-27)28-14-15-6-5-9-22-12-15/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3
InChIKeyBYERTCYRGCSEFG-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.24
Rot. Bonds4

About 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 56902182) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID56902182
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC(OCc4cccnc4)CC3)nc(C(C)(C)C)nc21
InChIInChI=1S/C21H28N6O/c1-21(2,3)20-24-18-17(13-23-26(18)4)19(25-20)27-10-7-16(8-11-27)28-14-15-6-5-9-22-12-15/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3
InChIKeyBYERTCYRGCSEFG-UHFFFAOYSA-N
XLogP3.24
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 56902182) is 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCC(OCc4cccnc4)CC3)nc(C(C)(C)C)nc21.
What is the InChIKey of 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is BYERTCYRGCSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-21(2,3)20-24-18-17(13-23-26(18)4)19(25-20)27-10-7-16(8-11-27)28-14-15-6-5-9-22-12-15/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3.
What are the key properties of 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 380.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56902182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).