3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine

C20H21FN8 — CID 68891988

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine
SMILESNc1ncc(-c2cnn(CC3CCCNC3)c2)nc1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H21FN8/c21-14-3-4-15-16(6-14)28-20(27-15)18-19(22)24-9-17(26-18)13-8-25-29(11-13)10-12-2-1-5-23-7-12/h3-4,6,8-9,11-12,23H,1-2,5,7,10H2,(H2,22,24)(H,27,28)
InChIKeyMVHCOIDDTXDKAO-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.60
Rot. Bonds4

About 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine

3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine (PubChem CID 68891988) has the molecular formula C20H21FN8 and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine
PubChem CID68891988
Molecular FormulaC20H21FN8
Molecular Weight392.44 g/mol
Exact Mass392.19
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine
SMILESNc1ncc(-c2cnn(CC3CCCNC3)c2)nc1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H21FN8/c21-14-3-4-15-16(6-14)28-20(27-15)18-19(22)24-9-17(26-18)13-8-25-29(11-13)10-12-2-1-5-23-7-12/h3-4,6,8-9,11-12,23H,1-2,5,7,10H2,(H2,22,24)(H,27,28)
InChIKeyMVHCOIDDTXDKAO-UHFFFAOYSA-N
XLogP2.60
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine (CID 68891988) is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine is Nc1ncc(-c2cnn(CC3CCCNC3)c2)nc1-c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine?
The InChIKey is MVHCOIDDTXDKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8/c21-14-3-4-15-16(6-14)28-20(27-15)18-19(22)24-9-17(26-18)13-8-25-29(11-13)10-12-2-1-5-23-7-12/h3-4,6,8-9,11-12,23H,1-2,5,7,10H2,(H2,22,24)(H,27,28).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine?
3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine has a molecular weight of 392.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 68891988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).