ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid

C24H40N8O3 — CID 169142251

IUPACethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
SMILESC1CCOC1.CC.CC(C)NC(=O)O.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1
InChIInChI=1S/C14H17N7.C4H9NO2.C4H8O.C2H6/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;1-3(2)5-4(6)7;1-2-4-5-3-1;1-2/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);3,5H,1-2H3,(H,6,7);1-4H2;1-2H3
InChIKeyNPAXOIPYEWNTKB-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.15
Rot. Bonds4

About ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid

ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid (PubChem CID 169142251) has the molecular formula C24H40N8O3 and a molecular weight of 488.64 g/mol. Its IUPAC name is ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid.

Molecular Properties

Compound Nameethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
PubChem CID169142251
Molecular FormulaC24H40N8O3
Molecular Weight488.64 g/mol
Exact Mass488.32
IUPAC Nameethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
SMILESC1CCOC1.CC.CC(C)NC(=O)O.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1
InChIInChI=1S/C14H17N7.C4H9NO2.C4H8O.C2H6/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;1-3(2)5-4(6)7;1-2-4-5-3-1;1-2/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);3,5H,1-2H3,(H,6,7);1-4H2;1-2H3
InChIKeyNPAXOIPYEWNTKB-UHFFFAOYSA-N
XLogP4.15
TPSA141.49 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
The IUPAC name of ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid (CID 169142251) is ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid.
What is the SMILES notation for ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
The canonical SMILES for ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid is C1CCOC1.CC.CC(C)NC(=O)O.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1.
What is the InChIKey of ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
The InChIKey is NPAXOIPYEWNTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7.C4H9NO2.C4H8O.C2H6/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;1-3(2)5-4(6)7;1-2-4-5-3-1;1-2/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);3,5H,1-2H3,(H,6,7);1-4H2;1-2H3.
What are the key properties of ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid has a molecular weight of 488.64 g/mol, XLogP of 4.15, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid is sourced from PubChem (CID 169142251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).