N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide

C31H30FN7O2 — CID 59790072

IUPACN-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
SMILESCn1c(Nc2cc(-c3ccncc3)ccc2F)nc2cc(Oc3ccnc(NC(=O)CN4CCCCC4)c3)ccc21
InChIInChI=1S/C31H30FN7O2/c1-38-28-8-6-23(41-24-11-14-34-29(19-24)37-30(40)20-39-15-3-2-4-16-39)18-27(28)36-31(38)35-26-17-22(5-7-25(26)32)21-9-12-33-13-10-21/h5-14,17-19H,2-4,15-16,20H2,1H3,(H,35,36)(H,34,37,40)
InChIKeyPFZUAVIWTJATSK-UHFFFAOYSA-N
MW551.63 g/mol
LogP6.13
Rot. Bonds8

About N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide

N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide (PubChem CID 59790072) has the molecular formula C31H30FN7O2 and a molecular weight of 551.63 g/mol. Its IUPAC name is N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
PubChem CID59790072
Molecular FormulaC31H30FN7O2
Molecular Weight551.63 g/mol
Exact Mass551.24
IUPAC NameN-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
SMILESCn1c(Nc2cc(-c3ccncc3)ccc2F)nc2cc(Oc3ccnc(NC(=O)CN4CCCCC4)c3)ccc21
InChIInChI=1S/C31H30FN7O2/c1-38-28-8-6-23(41-24-11-14-34-29(19-24)37-30(40)20-39-15-3-2-4-16-39)18-27(28)36-31(38)35-26-17-22(5-7-25(26)32)21-9-12-33-13-10-21/h5-14,17-19H,2-4,15-16,20H2,1H3,(H,35,36)(H,34,37,40)
InChIKeyPFZUAVIWTJATSK-UHFFFAOYSA-N
XLogP6.13
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.63
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide (CID 59790072) is N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide is Cn1c(Nc2cc(-c3ccncc3)ccc2F)nc2cc(Oc3ccnc(NC(=O)CN4CCCCC4)c3)ccc21.
What is the InChIKey of N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide?
The InChIKey is PFZUAVIWTJATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN7O2/c1-38-28-8-6-23(41-24-11-14-34-29(19-24)37-30(40)20-39-15-3-2-4-16-39)18-27(28)36-31(38)35-26-17-22(5-7-25(26)32)21-9-12-33-13-10-21/h5-14,17-19H,2-4,15-16,20H2,1H3,(H,35,36)(H,34,37,40).
What are the key properties of N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide?
N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide has a molecular weight of 551.63 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluoro-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 59790072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).