7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C18H24N6 — CID 56903931

IUPAC7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1n[nH]c2c1CN(c1cc(C(C)C)nc3cc(C)nn13)CC2
InChIInChI=1S/C18H24N6/c1-5-14-13-10-23(7-6-15(13)21-20-14)18-9-16(11(2)3)19-17-8-12(4)22-24(17)18/h8-9,11H,5-7,10H2,1-4H3,(H,20,21)
InChIKeyWAXSFOWNZSXSJW-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.01
Rot. Bonds3

About 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 56903931) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID56903931
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1n[nH]c2c1CN(c1cc(C(C)C)nc3cc(C)nn13)CC2
InChIInChI=1S/C18H24N6/c1-5-14-13-10-23(7-6-15(13)21-20-14)18-9-16(11(2)3)19-17-8-12(4)22-24(17)18/h8-9,11H,5-7,10H2,1-4H3,(H,20,21)
InChIKeyWAXSFOWNZSXSJW-UHFFFAOYSA-N
XLogP3.01
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 56903931) is 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CCc1n[nH]c2c1CN(c1cc(C(C)C)nc3cc(C)nn13)CC2.
What is the InChIKey of 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WAXSFOWNZSXSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-5-14-13-10-23(7-6-15(13)21-20-14)18-9-16(11(2)3)19-17-8-12(4)22-24(17)18/h8-9,11H,5-7,10H2,1-4H3,(H,20,21).
What are the key properties of 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56903931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).