3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C21H22FN7 — CID 123430712

IUPAC3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cc2[nH]c(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2cc1F
InChIInChI=1S/C21H22FN7/c1-12-6-18-19(8-17(12)22)28-21(27-18)16-7-13(9-25-20(16)23)14-10-26-29(11-14)15-2-4-24-5-3-15/h6-11,15,24H,2-5H2,1H3,(H2,23,25)(H,27,28)
InChIKeyWRQSQAOLJABGGJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.44
Rot. Bonds3

About 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 123430712) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID123430712
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC Name3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cc2[nH]c(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2cc1F
InChIInChI=1S/C21H22FN7/c1-12-6-18-19(8-17(12)22)28-21(27-18)16-7-13(9-25-20(16)23)14-10-26-29(11-14)15-2-4-24-5-3-15/h6-11,15,24H,2-5H2,1H3,(H2,23,25)(H,27,28)
InChIKeyWRQSQAOLJABGGJ-UHFFFAOYSA-N
XLogP3.44
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 123430712) is 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Cc1cc2[nH]c(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2cc1F.
What is the InChIKey of 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is WRQSQAOLJABGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7/c1-12-6-18-19(8-17(12)22)28-21(27-18)16-7-13(9-25-20(16)23)14-10-26-29(11-14)15-2-4-24-5-3-15/h6-11,15,24H,2-5H2,1H3,(H2,23,25)(H,27,28).
What are the key properties of 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 391.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 123430712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).