6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine

C22H20F2N6 — CID 118725600

IUPAC6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CCCNC4)n3)c2c1
InChIInChI=1S/C22H20F2N6/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(30-29-18)19-11-26-12-20(28-19)27-14-3-2-8-25-10-14/h1,4-7,9,11-12,14,25H,2-3,8,10H2,(H,27,28)(H,29,30)
InChIKeyKBIGMPDPPRLJPK-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.13
Rot. Bonds4

About 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine

6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine (PubChem CID 118725600) has the molecular formula C22H20F2N6 and a molecular weight of 406.44 g/mol. Its IUPAC name is 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine
PubChem CID118725600
Molecular FormulaC22H20F2N6
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Name6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CCCNC4)n3)c2c1
InChIInChI=1S/C22H20F2N6/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(30-29-18)19-11-26-12-20(28-19)27-14-3-2-8-25-10-14/h1,4-7,9,11-12,14,25H,2-3,8,10H2,(H,27,28)(H,29,30)
InChIKeyKBIGMPDPPRLJPK-UHFFFAOYSA-N
XLogP4.13
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine?
The IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine (CID 118725600) is 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine.
What is the SMILES notation for 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine?
The canonical SMILES for 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine is Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CCCNC4)n3)c2c1.
What is the InChIKey of 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine?
The InChIKey is KBIGMPDPPRLJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(30-29-18)19-11-26-12-20(28-19)27-14-3-2-8-25-10-14/h1,4-7,9,11-12,14,25H,2-3,8,10H2,(H,27,28)(H,29,30).
What are the key properties of 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine?
6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine has a molecular weight of 406.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine is sourced from PubChem (CID 118725600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).