6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine

C18H25N7 — CID 56901773

IUPAC6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1n[nH]c2c1CN(c1nc(C(C)(C)C)nc3c1cnn3C)CC2
InChIInChI=1S/C18H25N7/c1-6-13-12-10-25(8-7-14(12)23-22-13)16-11-9-19-24(5)15(11)20-17(21-16)18(2,3)4/h9H,6-8,10H2,1-5H3,(H,22,23)
InChIKeyYIAOAJGTXMCNBI-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.51
Rot. Bonds2

About 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine

6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 56901773) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID56901773
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1n[nH]c2c1CN(c1nc(C(C)(C)C)nc3c1cnn3C)CC2
InChIInChI=1S/C18H25N7/c1-6-13-12-10-25(8-7-14(12)23-22-13)16-11-9-19-24(5)15(11)20-17(21-16)18(2,3)4/h9H,6-8,10H2,1-5H3,(H,22,23)
InChIKeyYIAOAJGTXMCNBI-UHFFFAOYSA-N
XLogP2.51
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine (CID 56901773) is 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine is CCc1n[nH]c2c1CN(c1nc(C(C)(C)C)nc3c1cnn3C)CC2.
What is the InChIKey of 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is YIAOAJGTXMCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-6-13-12-10-25(8-7-14(12)23-22-13)16-11-9-19-24(5)15(11)20-17(21-16)18(2,3)4/h9H,6-8,10H2,1-5H3,(H,22,23).
What are the key properties of 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56901773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).