tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate

C26H35N9O2 — CID 121390987

IUPACtert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate
SMILESCC(C)n1cc(-c2nc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C26H35N9O2/c1-19(2)34-17-21(15-29-34)24-23-6-7-27-35(23)18-22(30-24)20-14-28-33(16-20)13-10-31-8-11-32(12-9-31)25(36)37-26(3,4)5/h6-7,14-19H,8-13H2,1-5H3
InChIKeyQXESMZHUYZMTBB-UHFFFAOYSA-N
MW505.63 g/mol
LogP3.59
Rot. Bonds6

About tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate (PubChem CID 121390987) has the molecular formula C26H35N9O2 and a molecular weight of 505.63 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate
PubChem CID121390987
Molecular FormulaC26H35N9O2
Molecular Weight505.63 g/mol
Exact Mass505.29
IUPAC Nametert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate
SMILESCC(C)n1cc(-c2nc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C26H35N9O2/c1-19(2)34-17-21(15-29-34)24-23-6-7-27-35(23)18-22(30-24)20-14-28-33(16-20)13-10-31-8-11-32(12-9-31)25(36)37-26(3,4)5/h6-7,14-19H,8-13H2,1-5H3
InChIKeyQXESMZHUYZMTBB-UHFFFAOYSA-N
XLogP3.59
TPSA98.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate (CID 121390987) is tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate is CC(C)n1cc(-c2nc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?
The InChIKey is QXESMZHUYZMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N9O2/c1-19(2)34-17-21(15-29-34)24-23-6-7-27-35(23)18-22(30-24)20-14-28-33(16-20)13-10-31-8-11-32(12-9-31)25(36)37-26(3,4)5/h6-7,14-19H,8-13H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate has a molecular weight of 505.63 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-[4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 121390987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).