2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

C26H40N8O2 — CID 169142614

IUPAC2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC1CCCC1.O=C(O)NCCC1CCC1.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1
InChIInChI=1S/C14H17N7.C7H13NO2.C5H10/c1-5-15-6-2-10(1)11-9-21-12(3-8-17-21)14(18-11)19-13-4-7-16-20-13;9-7(10)8-5-4-6-2-1-3-6;1-2-4-5-3-1/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);6,8H,1-5H2,(H,9,10);1-5H2
InChIKeyMWZLNSZJCVEGCI-UHFFFAOYSA-N
MW496.66 g/mol
LogP5.06
Rot. Bonds6

About 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 169142614) has the molecular formula C26H40N8O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID169142614
Molecular FormulaC26H40N8O2
Molecular Weight496.66 g/mol
Exact Mass496.33
IUPAC Name2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC1CCCC1.O=C(O)NCCC1CCC1.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1
InChIInChI=1S/C14H17N7.C7H13NO2.C5H10/c1-5-15-6-2-10(1)11-9-21-12(3-8-17-21)14(18-11)19-13-4-7-16-20-13;9-7(10)8-5-4-6-2-1-3-6;1-2-4-5-3-1/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);6,8H,1-5H2,(H,9,10);1-5H2
InChIKeyMWZLNSZJCVEGCI-UHFFFAOYSA-N
XLogP5.06
TPSA132.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 169142614) is 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is C1CCCC1.O=C(O)NCCC1CCC1.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1.
What is the InChIKey of 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is MWZLNSZJCVEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7.C7H13NO2.C5H10/c1-5-15-6-2-10(1)11-9-21-12(3-8-17-21)14(18-11)19-13-4-7-16-20-13;9-7(10)8-5-4-6-2-1-3-6;1-2-4-5-3-1/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);6,8H,1-5H2,(H,9,10);1-5H2.
What are the key properties of 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 496.66 g/mol, XLogP of 5.06, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethylcarbamic acid;cyclopentane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 169142614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).