2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C23H27N7 — CID 171334879

IUPAC2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)(C)c1cc2c(N3CCN(c4nc5c(cc4C#N)CCC5)CC3)nccn2n1
InChIInChI=1S/C23H27N7/c1-23(2,3)20-14-19-22(25-7-8-30(19)27-20)29-11-9-28(10-12-29)21-17(15-24)13-16-5-4-6-18(16)26-21/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyDWQFZBQBJYRIRW-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.11
Rot. Bonds2

About 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 171334879) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID171334879
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)(C)c1cc2c(N3CCN(c4nc5c(cc4C#N)CCC5)CC3)nccn2n1
InChIInChI=1S/C23H27N7/c1-23(2,3)20-14-19-22(25-7-8-30(19)27-20)29-11-9-28(10-12-29)21-17(15-24)13-16-5-4-6-18(16)26-21/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyDWQFZBQBJYRIRW-UHFFFAOYSA-N
XLogP3.11
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 171334879) is 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC(C)(C)c1cc2c(N3CCN(c4nc5c(cc4C#N)CCC5)CC3)nccn2n1.
What is the InChIKey of 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is DWQFZBQBJYRIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-23(2,3)20-14-19-22(25-7-8-30(19)27-20)29-11-9-28(10-12-29)21-17(15-24)13-16-5-4-6-18(16)26-21/h7-8,13-14H,4-6,9-12H2,1-3H3.
What are the key properties of 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 401.52 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 171334879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).